From 02ceb4514da03c3b13e7b1f37b2a84f8b460e7e7 Mon Sep 17 00:00:00 2001 From: He Date: Fri, 22 Apr 2022 14:44:05 -0400 Subject: [PATCH] Cleanup and updated annotations --- src/ontology/cido-AA-variant.owl => cido.owl | 34907 ++++++++++++++--- src/ontology/cido-edit.owl | 2 +- src/ontology/cido.owl | 2 +- 3 files changed, 29826 insertions(+), 5085 deletions(-) rename src/ontology/cido-AA-variant.owl => cido.owl (88%) diff --git a/src/ontology/cido-AA-variant.owl b/cido.owl similarity index 88% rename from src/ontology/cido-AA-variant.owl rename to cido.owl index 301ea05..daae688 100644 --- a/src/ontology/cido-AA-variant.owl +++ b/cido.owl @@ -46,13 +46,13 @@ Yingtong Liu Yongqun "Oliver" He (YOH) Zalan Shah - 09-03-2021 + 04-22-2022 The Ontology of Coronavirus Infectious Disease (CIDO) is a community-driven open-source biomedical ontology in the area of coronavirus infectious disease. The CIDO is developed to provide standardized human- and computer-interpretable annotation and representation of various coronavirus infectious diseases, including their etiology, transmission, pathogenesis, diagnosis, prevention, and treatment. OWL-DL CIDO: A biomedical ontology in the area of coronavirus infectious disease. CIDO: Ontology of Coronavirus Infectious Disease http://creativecommons.org/licenses/by/4.0/ - 1.0.260 + 1.0.298 @@ -212,14 +212,6 @@ - - - - - - - - @@ -256,21 +248,12 @@ - - - - - - - - An annotation property that represents a laboratory, company or organization authorized by FDA emergency use authorization (EUA) to perform an assay such as a SARS-CoV-2 RT-PCR assay. Asiyah Yu Lin, Oliver He https://www.fda.gov/emergency-preparedness-and-response/mcm-legal-regulatory-and-policy-framework/emergency-use-authorization - FDA EUA laboratory,company or organization FDA EUA laboratory,company or organization @@ -281,34 +264,16 @@ An annotation property that provides one or more keywords useful for text mining of the indicated ontology term. Liwei Wang, Oliver He - has text mining keywords has text mining keywords - - - - - - - - - - - - - - - - Asiyah Yu Lin 2021-09-08T02:48:51Z - wikidata_ID wikidata_ID @@ -2958,6 +2923,23 @@ A continuant cannot have an occurrent as part: use 'participates in'. + + c-has-part_st + hasContinuantPartAt + [copied from inverse property 'part of continuant at some time'] Mary’s arm continuant_part_of Mary in the time of her life prior to her operation + [copied from inverse property 'part of continuant at some time'] the Northern hemisphere of the planet Earth is a part of the planet Earth at all times at which the planet Earth exists. + b has_continuant_part c at t = Def. c continuant_part_of b at t. (axiom label in BFO2 Reference: [006-001]) + Alan Ruttenberg: This is a binary version of a ternary time-indexed, instance level, relation. The BFO reading of the binary relation 'has continuant part at some time@en' is: exists t, exists_at(x,t) & exists_at(y,t) & 'has continuant part@en'(x,y,t) + [copied from inverse property 'part of continuant at some time'] Alan Ruttenberg: This is a binary version of a ternary time-indexed, instance level, relation. The BFO reading of the binary relation 'part of continuant at some time@en' is: exists t, exists_at(x,t) & exists_at(y,t) & 'part of continuant@en'(x,y,t) + [copied from inverse property 'part of continuant at some time'] BFO 2 Reference: Immaterial entities are in some cases continuant parts of their material hosts. Thus the hold of a ship, for example, is a part of the ship; it may itself have parts, which may have names (used for example by ship stow planners, customs inspectors, and the like). Immaterial entities under both 1. and 2. can be of zero, one, two or three dimensions. We define:a(immaterial entity)[Definition: a is an immaterial entity = Def. a is an independent continuant that has no material entities as parts. (axiom label in BFO2 Reference: [028-001]) + [copied from inverse property 'part of continuant at some time'] BFO 2 Reference: a (continuant or occurrent) part of itself. We appreciate that this is counterintuitive for some users, since it implies for example that President Obama is a part of himself. However it brings benefits in simplifying the logical formalism, and it captures an important feature of identity, namely that it is the limit case of mereological inclusion. + [copied from inverse property 'part of continuant at some time'] BFO2 Reference: continuant + [copied from inverse property 'part of continuant at some time'] BFO2 Reference: continuantThe range for ‘t’ (as in all cases throughout this document unless otherwise specified) is: temporal region. + + [copied from inverse property 'part of continuant at some time'] b continuant_part_of c at t =Def. b is a part of c at t & t is a time & b and c are continuants. (axiom label in BFO2 Reference: [002-001]) + (iff (hasContinuantPartAt a b t) (continuantPartOfAt b a t)) // axiom label in BFO2 CLIF: [006-001] + + has continuant part at some time @@ -3044,6 +3026,12 @@ A continuant cannot have an occurrent as part: use 'participates in'. + + An object property that represents a relation between a material entity (such as a drug or chemical or vaccine) and an adverse event (AE) where the administration of the material entity is susceptible to the presence of the adverse event. + Note: This term needs to be moved to the OAE ontology. + Oliver He, Yingtong Liu + This term needs to be transferred to OAE + susceptible to adverse event @@ -3071,6 +3059,17 @@ MERS-COV: ‘has susceptible host’ some Camelus + + + + + An object property that represents a relation between a chemical entity and a protein where the chemical entity can degrate the protein. + Oliver He, Jinyang Du + chemical degrades protein + + + + @@ -3574,6 +3573,7 @@ MERS-COV: ‘has susceptible host’ some Camelus + An object property that represents a relation between a molecular variant and a gene or protein where the variant derives from the gene or protein Oliver He variant of @@ -3586,6 +3586,10 @@ MERS-COV: ‘has susceptible host’ some Camelus + + a causal relation between a process and a phenotype where the process is capable of inducing the phenotype. + Oliver He + process capable of inducing phenotype @@ -3595,6 +3599,10 @@ MERS-COV: ‘has susceptible host’ some Camelus + + a causal relation between a material entity and a phenotype where the material agent is capable of inducing the phenotype. + Oliver He + agent capable of inducing phenotype @@ -3624,11 +3632,12 @@ MERS-COV: ‘has susceptible host’ some Camelus + An object property that defines a relation between a microbe variant and an AA variant where the microbe (like SARS_CoV-2) variant has the AA variant such that the microbe variant changes its AA from a previous one to a new one. Anthony Huffman, Oliver He An AA variant represents not only an amino acid (AA), but also a record of change from a previous AA to a new one. Therefore, instead of using 'has part', we generate this new property to represent the history of AA mutation. - has AA variant + has characteristic AA variant @@ -3748,7 +3757,6 @@ MERS-COV: ‘has susceptible host’ some Camelus - has genetic mutation @@ -3823,11 +3831,38 @@ MERS-COV: ‘has susceptible host’ some Camelus - + - - An object relation between a mutation process A and some material entity B such that B was physically altered by A - is gene mutation of + + Anthony Huffman, Oliver He + An object property that defines a relation between an AA variant and a microbe variant where the microbe (like SARS_CoV-2) variant has the AA variant such that the microbe variant changes its AA from a previous one to a new one. + is AA variant of + + + + + + + + has AA variant + + + + + + + + has AA mutation + + + + + + + + An object property that defines a relation between a microbe variant and an AA mutation where the microbe (like SARS_CoV-2) variant has the AA mutation such that the microbe variant has an AA change. This is used over AA variant for deletions or nonsense mutations. + Anthony Huffman, Oliver He + is AA mutation of @@ -3835,10 +3870,11 @@ MERS-COV: ‘has susceptible host’ some Camelus + - An object property that defines a relation between a microbe variant and an AA mutation where the microbe (like SARS_CoV-2) variant has the AA mutation such that the microbe variant has an AA change. This is used over AA variant for deletions or nonsense mutations. + An object property that defines a relation between a microbe variant and an AA mutation where the microbe (like SARS_CoV-2) variant has the AA mutation such that the microbe variant has an AA change that is used to identify a mircrobe variant. This is used over AA variant for deletions or nonsense mutations. An AA mutation represents the process of change from a previous AA to a new one. Therefore, instead of using 'has part', we generate this new property to represent the history of AA mutation. 'has AA mutation' is distinct from 'has AA variant' to account for mutations. - has AA mutation + has characteristic AA mutation @@ -3846,9 +3882,10 @@ MERS-COV: ‘has susceptible host’ some Camelus - Anthony Huffman - An object property that defines a relation between an AA variant and a microbe variant where the microbe (like SARS_CoV-2) variant has the AA variant such that the microbe variant changes its AA from a previous one to a new one. - AA variant of + + Anthony Huffman, Oliver He + An object property that defines a relation between an AA variant and a microbe variant where the microbe (like SARS_CoV-2) variant has the AA variant such that the microbe variant changes its AA from a previous one to a new one and that such a variant is used to identify a microbe variant.. + is characteristic AA variant of @@ -3856,8 +3893,18 @@ MERS-COV: ‘has susceptible host’ some Camelus + + An object property that defines a relation between a microbe variant and an AA mutation where the microbe (like SARS_CoV-2) variant has the AA mutation such that the microbe variant has an AA change that is used to identify a microbe variant. This is used over AA variant for deletions or nonsense mutations. Anthony Huffman - AA mutation of + is characteristic AA mutation of + + + + + + + + has mutated from @@ -7707,6 +7754,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -8079,6 +8132,41 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + has relative risk with no vaccination + + + + + + + + + has relative risk post-vaccination + + + + + + + + + has relative risk post-boost-vaccination + + + + + + + + has average R0 + + + + @@ -28073,8 +28161,8 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p bfo BFO:0000019 - quality quality + quality @@ -28280,8 +28368,8 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p bfo BFO:0000030 - object object + object @@ -28548,6 +28636,199 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + Reference: PMID: 10878288 + + 0 + C23H24N4O6 + InChI=1S/C23H24N4O6/c1-14(28)25-17-7-5-16(6-8-17)24-13-18-21(29)26-23(31)27(22(18)30)11-10-15-4-9-19(32-2)20(12-15)33-3/h4-9,12-13,24H,10-11H2,1-3H3,(H,25,28)(H,26,29,31) + YIYRLFJOQLGDMQ-UHFFFAOYSA-N + 452.461 + 452.16958 + CC(=O)NC1=CC=C(C=C1)NC=C2C(=O)NC(=O)N(C2=O)CCC3=CC(=C(C=C3)OC)OC + LINCS:LSM-16879 + chebi_ontology + CHEBI:105516 + + N-[4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]phenyl]acetamide + + + + + + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 12213263 + + 0 + C30H31FN2O + InChI=1S/C30H31FN2O/c1-20-8-7-11-26-28(20)30(34)33(19-21-9-5-4-6-10-21)29(26)25-17-14-23(18-27(25)31)22-12-15-24(16-13-22)32(2)3/h4-7,9-18,20,26,28-29H,8,19H2,1-3H3/t20-,26+,28+,29+/m1/s1 + OGOYFYBJGOZDCJ-SZOMIKIBSA-N + 454.579 + 454.24204 + C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N([C@H]2C3=C(C=C(C=C3)C4=CC=C(C=C4)N(C)C)F)CC5=CC=CC=C5 + LINCS:LSM-18786 + chebi_ontology + CHEBI:107432 + + (3R,3aS,7R,7aS)-3-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 29526098 + + 0 + C17H20N6O2 + InChI=1S/C17H20N6O2/c1-20-14-13(15(24)21(2)17(20)25)18-16(19-14)23-10-8-22(9-11-23)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,18,19) + CYQZBNXFVGWVOS-UHFFFAOYSA-N + 340.380 + 340.16477 + CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C4=CC=CC=C4 + LINCS:LSM-19603 + chebi_ontology + CHEBI:108226 + + 1,3-dimethyl-8-(4-phenyl-1-piperazinyl)-7H-purine-2,6-dione + + + + + + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 31969702 + + 0 + C28H30FN3O4 + InChI=1S/C28H30FN3O4/c1-18-15-32(19(2)17-33)28(35)23-13-21(20-9-5-4-6-10-20)14-30-26(23)36-25(18)16-31(3)27(34)22-11-7-8-12-24(22)29/h4-14,18-19,25,33H,15-17H2,1-3H3/t18-,19+,25+/m0/s1 + LKWROLXNVKNHNW-OSWQYVSFSA-N + 491.555 + 491.22203 + C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3)O[C@@H]1CN(C)C(=O)C4=CC=CC=C4F)[C@H](C)CO + LINCS:LSM-21396 + chebi_ontology + CHEBI:109969 + + 2-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide + + + + + + + + + + + + + + + + + + + + + The (S)-enantiomer of carnitine. + + 0 + C7H15NO3 + InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1 + PHIQHXFUZVPYII-LURJTMIESA-N + 161.19894 + 161.10519 + C[N+](C)(C)C[C@@H](O)CC([O-])=O + Beilstein:4292316 + CAS:541-14-0 + KEGG:C15025 + (3S)-3-hydroxy-4-(trimethylammonio)butanoate + (S)-Carnitine + (S)-carnitine + chebi_ontology + (+)-Carnitine + Carnitine D-form + D-(3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide, inner salt + D-Carnitine + d-Carnitine + CHEBI:11060 + + (S)-carnitine + + + + @@ -28680,6 +28961,159 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + The conjugate base of gamma-amino-beta-hydroxybutyric acid arising from deprotonation of the carboxy group. + + -1 + C4H8NO3 + InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/p-1 + YQGDEPYYFWUPGO-UHFFFAOYSA-M + 118.11126 + 118.05097 + NCC(O)CC([O-])=O + CAS:352-21-6 + KEGG:C03678 + 4-Amino-3-hydroxybutanoate + chebi_ontology + CHEBI:11955 + + 4-amino-3-hydroxybutanoate + + + + + + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 24391744 + + 0 + C20H22N2O5 + InChI=1S/C20H22N2O5/c1-10-5-13(23)19-17(6-10)27-20(22)12(9-21)18(19)11-7-15(25-3)16(26-4)8-14(11)24-2/h7-8,10,18H,5-6,22H2,1-4H3 + SQVQEPYBUYDLRQ-UHFFFAOYSA-N + 370.400 + 370.15287 + CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3OC)OC)OC)C(=O)C1 + LINCS:LSM-32699 + chebi_ontology + CHEBI:121256 + + 2-amino-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 26565666 + + 0 + C24H23N5O2 + InChI=1S/C24H23N5O2/c1-2-31-24(30)20-16-19(17-25)23(27-22(20)18-8-4-3-5-9-18)29-14-12-28(13-15-29)21-10-6-7-11-26-21/h3-11,16H,2,12-15H2,1H3 + JZKXGDVUHZCZAG-UHFFFAOYSA-N + 413.473 + 413.18518 + CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=C4 + LINCS:LSM-33271 + chebi_ontology + CHEBI:121828 + + 5-cyano-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 21383145 + + 0 + C22H20N4 + InChI=1S/C22H20N4/c1-16-11-13-18(14-12-16)26-22(24-20-10-6-5-9-19(20)23)15-21(25-26)17-7-3-2-4-8-17/h2-15,24H,23H2,1H3 + PMUPQNIDIMQBFR-UHFFFAOYSA-N + 340.422 + 340.16880 + CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)NC4=CC=CC=C4N + LINCS:LSM-34585 + chebi_ontology + CHEBI:123143 + + N2-[2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]benzene-1,2-diamine + + + + @@ -28746,6 +29180,35 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + An organic cation obtained by protonation of the isoquinoline and secondary amino functions of N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide. + + +2 + C20H22BrN3O2S + InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/p+2 + ZKZXNDJNWUTGDK-UHFFFAOYSA-P + 448.380 + 447.06051 + [H]C(C[NH2+]CCNS(=O)(=O)C1=CC=CC2=C1C=C[NH+]=C2)=C([H])C1=CC=C(Br)C=C1 + 5-[(2-{[3-(4-bromophenyl)prop-2-en-1-yl]azaniumyl}ethyl)sulfamoyl]isoquinolin-2-ium + chebi_ontology + CHEBI:131489 + + N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide(2+) + + + + @@ -28819,6 +29282,40 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + Any aromatic amide obtained by acylation of aniline. + + 0 + C7H6NOR + 120.12860 + 120.04494 + [*]C(=O)Nc1ccccc1 + KEGG:C01402 + PMID:23535982 + PMID:23968552 + PMID:24273122 + PMID:6205897 + chebi_ontology + N-phenyl amide + N-phenyl amides + an anilide + CHEBI:13248 + + anilide + + + + @@ -28938,6 +29435,26 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + chebi_ontology + CHEBI:132943 + + aspartate + + + + @@ -29085,6 +29602,49 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-lysine; major species at pH 7.3. + + 0 + C6H14N2O2 + InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 + KDXKERNSBIXSRK-YFKPBYRVSA-N + 146.188 + 146.10553 + [O-]C([C@H](CCCCN)[NH3+])=O + (2S)-6-amino-2-azaniumylhexanoate + chebi_ontology + L-lysine + Lys + lysine zwitterion + CHEBI:133538 + + L-lysine zwitterion + + + + @@ -29388,7 +29948,14 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + PMID: 28855003; PMID: 30711575; PMID: 27550352 + Reference: PMID: 32470470 https://www.drugbank.ca/drugs/DB12598 0 @@ -29496,6 +30063,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -29511,6 +30084,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p A benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients. PMID: 28855003; PMID: 25666761 PMID: 32142651 + Reference: PMID: 22496216 https://www.drugbank.ca/drugs/DB13729 0 @@ -29664,6 +30238,40 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + Organonitrogen compounds that have the general structure R(1)(R(2))C=N(O)OH (R(1),R(2) = H, organyl). They are tautomers of C-nitro compounds. + + 0 + CHNO2R2 + 59.024 + 59.00073 + C(*)(=[N+](O)[O-])* + chebi_ontology + aci-nitro compounds + oxime N-oxide + oxime N-oxides + CHEBI:136622 + + aci-nitro compound + + + + @@ -29719,6 +30327,159 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A member of the class of thienotriazolodiazepines that is the tert-butyl ester of [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid. An inhibitor of bromodomain-containing protein 4 that exhibits anti-cancer and cardioprotective properties. + Reference: PMID: 24391744 + + 0 + C23H25ClN4O2S + InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 + DNVXATUJJDPFDM-KRWDZBQOSA-N + 456.990 + 456.13867 + C(=O)(OC(C)(C)C)C[C@H]1C=2N(C3=C(C(=N1)C4=CC=C(C=C4)Cl)C(=C(S3)C)C)C(=NN2)C + CHEBI:95080 + CAS:1268524-70-4 + LINCS:LSM-6332 + PDBeChem:JQ1 + PMID:20871596 + PMID:23911322 + PMID:26206333 + PMID:26733615 + PMID:26791045 + PMID:26830473 + PMID:26908627 + PMID:27117003 + PMID:27292261 + PMID:27440272 + PMID:27443262 + PMID:27528027 + PMID:27531767 + PMID:27539364 + PMID:27572308 + PMID:27573714 + PMID:27758824 + PMID:27764802 + PMID:27864418 + PMID:28026145 + PMID:28059436 + PMID:28063381 + PMID:28100400 + PMID:28103888 + PMID:28105454 + PMID:28107481 + PMID:28118076 + PMID:28134933 + PMID:28143717 + PMID:28248992 + PMID:28254412 + PMID:28270499 + PMID:28275007 + PMID:28322577 + PMID:28356707 + PMID:28368473 + PMID:28418907 + PMID:28467486 + PMID:28484091 + PMID:28490802 + PMID:28504695 + PMID:28515341 + Reaxys:21994154 + Wikipedia:JQ1 + JQ1 + tert-butyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate + chebi_ontology + (+)-JQ1 + (S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate + (S)-JQ1 + JQ1 Compound + TEN-010 + CHEBI:137113 + + JQ1 + + + + + + + + + + Any inhibitor of bromodomain-containing protein 4 (BRD4). + + Wikipedia:BRD4 + chebi_ontology + BRD4 inhibitor + BRD4 inhibitors + bromodomain-containing protein 4 inhibitors + CHEBI:137114 + + bromodomain-containing protein 4 inhibitor + + + + @@ -29775,6 +30536,49 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any compound that can disrupt the functions of the endocrine (hormone) system + + PMID:27929035 + PMID:28356401 + PMID:28526231 + Wikipedia:Endocrine_disruptor + chebi_ontology + endocrine disrupting chemical + endocrine disrupting chemicals + endocrine disrupting compound + endocrine disrupting compounds + endocrine disruptors + endocrine-disrupting chemical + endocrine-disrupting chemicals + hormonally active agent + hormonally active agents + CHEBI:138015 + + endocrine disruptor + + + + + + + + + + Any inhibitor of ATPase motor cytoplasmic dynein. + + chebi_ontology + ATPase motor cytoplasmic dynein inhibitors + CHEBI:138090 + + ATPase motor cytoplasmic dynein inhibitor + + + + @@ -29811,6 +30615,23 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell). + + chebi_ontology + autophagocytosis inducer + autophagocytosis inducers + autophagy inducers + CHEBI:138880 + + autophagy inducer + + + + @@ -30004,6 +30825,296 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any flavanone in which the chiral centre at position 2 has S-configuration. + + 0 + C15H3O2R9 + 215.184 + 215.01330 + O1C2=C(C(C[C@H]1C3=C(C(=C(C(=C3*)*)*)*)*)=O)C(=C(C(=C2*)*)*)* + MetaCyc:2S-Flavanones + chebi_ontology + (2S)-flavan-4-ones + (2S)-flavanone + (2S)-flavanones + a (2S)-flavan-4-one + CHEBI:140377 + + (2S)-flavan-4-one + + + + + + + + + + + + + + + A carboxylic ester resulting from the formal condensation of a carboxylic acid with tert-butanol. + + 0 + C5H9O2R + 101.124 + 101.06025 + C(OC(C)(C)C)(*)=O + chebi_ontology + 1,1-dimethylethyl ester + 1,1-dimethylethyl esters + t-butyl ester + t-butyl esters + tert-butyl esters + CHEBI:140402 + + tert-butyl ester + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A member of the class of isoindoles that is isoindole in which the amino group has been acylated by a 2,4-dihydroxy-5-isopropylbenzoyl group and in which position 5 of the isoidole moiety has been substituted by a (4-methylpiperazin-1-yl)methyl group. A second-generation Hsp90 inhibitor. + Reference: PMID: 33330614 + + 0 + C24H31N3O3 + InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3 + IFRGXKKQHBVPCQ-UHFFFAOYSA-N + 409.522 + 409.23654 + C(=O)(C1=CC(=C(C=C1O)O)C(C)C)N2CC3=C(C2)C=CC(=C3)CN4CCN(CC4)C + CAS:912999-49-6 + DrugBank:DB06306 + KEGG:D10719 + PDBeChem:XJX + PMCID:PMC4638428 + PMID:20662534 + PMID:21538821 + PMID:22181674 + PMID:22714264 + PMID:23186098 + PMID:24156782 + PMID:25336693 + PMID:25349308 + PMID:26082332 + PMID:26248657 + PMID:26452257 + PMID:26627081 + PMID:27156227 + PMID:27197266 + PMID:27321499 + PMID:27673365 + PMID:28679777 + PMID:31638190 + Reaxys:18536397 + (2,4-dihydroxy-5-isopropylphenyl){5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydro-2H-isoindol-2-yl}methanone + chebi_ontology + (2,4-dihydroxy-5-isopropylphenyl)-(5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl)methanone + AT 13387 + AT-13387 + AT13387 + onalespib + onalespibum + CHEBI:140592 + + onalespib + + + + + + + + + + + + + + + Any saturated fatty acid containing 4 carbons. + + 0 + CHO2R + 45.017 + 44.99765 + *C(O)=O + chebi_ontology + CHEBI:140601 + + fatty acid 4:0 + + + + + + + + + + + + + + + A primary ammonium ion resulting from the protonation of the amino group of L-tyrosinal. + + +1 + C9H12NO2 + InChI=1S/C9H11NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,6,8,12H,5,10H2/p+1/t8-/m0/s1 + DXGAIOIQACHYRK-QMMMGPOBSA-O + 166.197 + 166.08626 + O=C[C@@H]([NH3+])CC=1C=CC(=CC1)O + MetaCyc:CPD-21526 + PMID:23281040 + (2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-aminium + chebi_ontology + (2S)-1-(p-hydroxyphenyl)-3-oxopropan-2-aminium + L-tyrosinal + CHEBI:141668 + + L-tyrosinal(1+) + + + + + + + + + Any carbobycyclic compound that is an hexahydronaphthalene or a compound obtained from an hexahydronaphthalene by formal substitution of one or more hydrogens. + + chebi_ontology + CHEBI:142348 + + hexahydronaphthalenes + + + + + + + + + + + + + + + A organic ion resulting from the deprotonation of the hydroxy group of any oxime. + + -1 + CNO + 42.017 + 41.99799 + C(*)(=N[O-])* + oxime anion + chebi_ontology + oximate + oximates + oxime anions + CHEBI:142513 + + oxime anion + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A member of the class of quinazolines that is quinazoline which is substituted at positions 2, 5 and 8 by 2-amino-1H-benzimidazol-1-yl, benzylnitrilo and methoxy groups, respectively. It is a ATP-competetive inhibitor of AAA ATPase p97, also known as valosin-containing protein (VCP). + Reference: PMID: 23316025 + + 0 + C23H20N6O + InChI=1S/C23H20N6O/c1-30-19-13-7-10-16-20(19)27-23(28-21(16)25-14-15-8-3-2-4-9-15)29-18-12-6-5-11-17(18)26-22(29)24/h2-13H,14H2,1H3,(H2,24,26)(H,25,27,28) + NHAMBLRUUJAFOY-UHFFFAOYSA-N + 396.445 + 396.16986 + N1=C(N2C(N)=NC=3C=CC=CC32)N=C(C=4C1=C(C=CC4)OC)NCC=5C=CC=CC5 + CAS:1346527-98-7 + PMID:23316025 + PMID:24878061 + PMID:25377500 + 2-(2-amino-1H-benzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine + ML240 + chebi_ontology + 2-(2-amino-1H-benzimidazol-1-yl)-8-methoxy-N-(phenylmethyl)-4-quinazolinamine + 2-(2-amino-1H-benzo[d]imidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine + ML 240 + ML-240 + CHEBI:143014 + + ML240 + + + + @@ -30036,6 +31147,71 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group + + -1 + C5H8NO4 + InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1 + WHUUTDBJXJRKMK-UHFFFAOYSA-M + 146.12136 + 146.04588 + [NH3+]C(CCC([O-])=O)C([O-])=O + Gmelin:327908 + glutamate(1-) + hydrogen glutamate + chebi_ontology + 2-ammoniopentanedioate + glutamate + glutamic acid monoanion + CHEBI:14321 + + glutamate(1-) + + + + + + + + + + -1 + C2H2NO2R + 72.043 + 72.00855 + [O-]C(C(N*)*)=O + chebi_ontology + C-terminal amino acid residue + amino acid carboxylate group(1-) + CHEBI:143819 + + C-terminal amino acid residue(1-) + + + + @@ -30140,6 +31316,117 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + A piperidinium ion resulting from the protonation of amino group of donepezil. + + +1 + C24H30NO3 + InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/p+1 + ADEBPBSSDYVVLD-UHFFFAOYSA-O + 380.507 + 380.22202 + C1(=C(C=C2C(=C1)CC(C2=O)(CC3CC[NH+](CC3)CC4=CC=CC=C4)[H])OC)OC + 1-benzyl-4-[(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl]piperidinium + chebi_ontology + CHEBI:145498 + + donepezil (1+) + + + + + + + + + + + A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group. + + 0 + C24H29NO3 + InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 + ADEBPBSSDYVVLD-UHFFFAOYSA-N + 379.500 + 379.21474 + C1(=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)[H])OC)OC + 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one + chebi_ontology + CHEBI:145499 + + 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one + + + + + + + + + + + + + + + + + + + + + A piperidinium ion resulting from the protonation of the amino group of (R)-donepezil. + + +1 + C24H30NO3 + InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/p+1/t20-/m1/s1 + ADEBPBSSDYVVLD-HXUWFJFHSA-O + 380.507 + 380.22202 + C1(=C(C=C2C(=C1)C[C@](C2=O)(CC3CC[NH+](CC3)CC4=CC=CC=C4)[H])OC)OC + (2R)-1-benzyl-4-[(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl]piperidinium + chebi_ontology + CHEBI:145502 + + (R)-donepezil(1+) + + + + + + + + + + + + + + + + + + + + + + chebi_ontology + CHEBI:145503 + + (S)-donepezil(1+) + + + + @@ -30263,6 +31550,64 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + A branched-chain saturated fatty acid anion resulting from the deprotonation of the carboxy group of (S)-2-methylbutanoic acid. The major species at pH 7.3. + + -1 + C5H9O2 + InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1/t4-/m0/s1 + WLAMNBDJUVNPJU-BYPYZUCNSA-M + 101.126 + 101.06080 + [O-]C([C@H](CC)C)=O + PMID:16819884 + (2S)-2-methylbutanoate + (S)-2-methylbutanoate + chebi_ontology + (2S)-2-methylbutyrate + (2S)-2-methylbutyric acid anion + (S)-2-methylbutyrate + (S)-alpha-methylbutyrate + CHEBI:145932 + + (S)-2-methylbutanoate + + + + + + + + + A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent. + + antiatherosclerotic agent + chebi_ontology + anti-atherosclerotic agent + anti-atherosclerotic agents + anti-atherosclerotic drug + anti-atherosclerotic drugs + antiatherosclerotic agents + antiatherosclerotic drug + antiatherosclerotic drugs + CHEBI:145947 + + antiatherosclerotic agent + + + + @@ -30576,6 +31921,93 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the stereocenters at positions 4a, 10 and 10a have R-configuration. It is a prodrug of levorphanol and a strong narcotic analgesic, and listed as a schedule II controlled substance. + + 0 + C18H25NO + InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m0/s1 + MKXZASYAUGDDCJ-CGTJXYLNSA-N + 271.404 + 271.19361 + C=1C=2C[C@@H]3[C@]4([C@@](C2C=C(C1)OC)(CCCC4)CCN3C)[H] + CAS:125-70-2 + PMID:16870378 + PMID:26226106 + PMID:28867701 + PMID:29131506 + Wikipedia:Levomethorphan + (4aR,10R,10aR)-6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene + 3-methoxy-17-methylmorphinan + chebi_ontology + (-)-3-methoxy-17-methylmorphinan + (-)-3-methoxy-N-methylmorphinan + L-3-methoxy-17-methylmorphinan + L-methorphan + levomethorphan + levomethorphane + levomethorphanum + levometorfano + CHEBI:146176 + + levomethorphan + + + + + + + + + + + + An organic heterotetracyclic compound that is 1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene which is substituted by a methoxy group at position 6 and a methyl group at position 11. + + 0 + C18H25NO + InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3 + MKXZASYAUGDDCJ-UHFFFAOYSA-N + 271.404 + 271.19361 + C1CCCC2(C13C4=C(CC2N(CC3)C)C=CC(=C4)OC)[H] + 4-methoxy-17-methyl-17-azatetracyclo[7.5.3.0(1,10).0(2,7)]heptadeca-2(7),3,5-triene + 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene + chebi_ontology + CHEBI:146178 + + 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene + + + + @@ -31150,7 +32582,38 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3. 0 @@ -31192,6 +32655,103 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A simple monocarboxylic acid containing two carbons. + + 0 + C2H4O2 + InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) + QTBSBXVTEAMEQO-UHFFFAOYSA-N + 60.05200 + 60.02113 + CC(O)=O + CHEBI:22169 + CHEBI:2387 + CHEBI:40486 + Beilstein:506007 + CAS:64-19-7 + Drug_Central:4211 + Gmelin:1380 + HMDB:HMDB0000042 + KEGG:C00033 + KEGG:D00010 + KNApSAcK:C00001176 + LIPID_MAPS_instance:LMFA01010002 + MetaCyc:ACET + PDBeChem:ACT + PDBeChem:ACY + PMID:12005138 + PMID:15107950 + PMID:16630552 + PMID:16774200 + PMID:17190852 + PMID:19416101 + PMID:19469536 + PMID:22153255 + PMID:22173419 + PPDB:1333 + Reaxys:506007 + Wikipedia:Acetic_acid + ACETIC ACID + Acetic acid + acetic acid + chebi_ontology + AcOH + CH3-COOH + CH3CO2H + E 260 + E-260 + E260 + Essigsaeure + Ethanoic acid + Ethylic acid + HOAc + INS No. 260 + MeCO2H + MeCOOH + Methanecarboxylic acid + acide acetique + ethoic acid + CHEBI:15366 + + acetic acid + + + + @@ -31306,12 +32866,66 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain. 0 @@ -31538,6 +33152,78 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A formyltetrahydrofolic acid in which the formyl group is located at position 5. + Reference: PMID: 26885694 + + 0 + C20H23N7O7 + InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1 + VVIAGPKUTFNRDU-ABLWVSNPSA-N + 473.43930 + 473.16590 + [H]C(=O)N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12 + CHEBI:12127 + CHEBI:18607 + CHEBI:2057 + CAS:58-05-9 + DrugBank:DB03256 + Drug_Central:1232 + KEGG:C03479 + KEGG:D07986 + LINCS:LSM-5146 + Reaxys:101688 + Wikipedia:Folinic_acid + N-[4-({[2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid + chebi_ontology + (5-formyl-5,6,7,8-tetrahydropteroyl)glutamate + 10-Formyl-7,8-dihydrofolic acid + 5-Formyl-5,6,7,8-tetrahydrofolic acid + 5-Formyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid + 5-Formyltetrahydrofolate + Acide folinique + Folinic acid + L(-)-5-Formyl-5,6,7,8-tetrahydrofolic acid + Leucovorin + Leucovorinum + N-(5-formyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid + N5-Formyl-5,6,7,8-tetrahydrofolic acid + N5-Formyltetrahydrofolic acid + folinate + CHEBI:15640 + + 5-formyltetrahydrofolic acid + + + + @@ -31609,11 +33295,179 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 0 + C28H26N4O3 + InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 + HKSZLNNOFSGOKW-FYTWVXJKSA-N + 466.541 + 466.20049 + CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O + CHEBI:15106 + CHEBI:45788 + CHEBI:9252 + CAS:62996-74-1 + DrugBank:DB02010 + KEGG:C02079 + KNApSAcK:C00018127 + LINCS:LSM-1103 + PDBeChem:STU + PMID:15613975 + PMID:15682296 + PMID:18478334 + PMID:22363408 + PMID:32800439 + PMID:34428735 + Wikipedia:Staurosporine + (5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one + Staurosporine + chebi_ontology + (+)-Staurosporine + AM-2282 + STS + Staurosporin + antibiotic AM 2282 + CHEBI:15738 + + staurosporine + + + + + + + + + + + + + + + + + + + + + + + + + + + A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects. + + -1 + CHO2 + InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1 + BDAGIHXWWSANSR-UHFFFAOYSA-M + 45.01744 + 44.99820 + [H]C([O-])=O + CHEBI:14276 + CHEBI:24081 + Beilstein:1901205 + CAS:71-47-6 + Gmelin:1006 + HMDB:HMDB0000142 + KEGG:C00058 + MetaCyc:FORMATE + PMID:17190852 + PMID:3946945 + Reaxys:1901205 + UM-BBD_compID:c0106 + Wikipedia:Formate + formate + chebi_ontology + HCO2 anion + aminate + formiate + formic acid, ion(1-) + formylate + hydrogen carboxylate + methanoate + CHEBI:15740 + + formate + + + + + + + + + + + + + + + + + + + + + + Any N-acyl-amino acid in which the amino acid moiety has D configuration. + + 0 + C3H3NO3R2 + 101.06080 + 101.01129 + OC(=O)[C@@H]([*])NC([*])=O + CHEBI:12474 + CHEBI:21631 + CHEBI:7224 + chebi_ontology + CHEBI:15778 + + N-acyl-D-amino acid + + + + - - + Any N-acylethanolamine in which the acyl group has a chain length of C12 or greater. 0 @@ -31730,6 +33584,119 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 30074795 + + +1 + C9H18NO4 + InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1/t8-/m1/s1 + RDHQFKQIGNGIED-MRVPVSSYSA-O + 204.24356 + 204.12303 + CC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C + CHEBI:12711 + CHEBI:21936 + CHEBI:7669 + KEGG:C02571 + (2R)-2-(acetyloxy)-3-carboxy-N,N,N-trimethylpropan-1-aminium + chebi_ontology + O-Acetyl-L-carnitine + O-Acetylcarnitine + CHEBI:15960 + + O-acetylcarnitinium + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of glutamic acid having D-configuration. + + 0 + C5H9NO4 + InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 + WHUUTDBJXJRKMK-GSVOUGTGSA-N + 147.12930 + 147.05316 + N[C@H](CCC(O)=O)C(O)=O + CHEBI:21023 + CHEBI:4183 + Beilstein:1723800 + CAS:6893-26-1 + DrugBank:DB02517 + Gmelin:201189 + HMDB:HMDB0003339 + KEGG:C00217 + KNApSAcK:C00019577 + MetaCyc:D-GLT + PDBeChem:DGL + Reaxys:1723800 + (2R)-2-aminopentanedioic acid + D-Glutamic acid + D-glutamic acid + chebi_ontology + (R)-2-aminopentanedioic acid + D-2-Aminoglutaric acid + D-Glutaminic acid + D-Glutaminsaeure + DGL + glutamic acid D-form + CHEBI:15966 + + D-glutamic acid + + + + @@ -31822,6 +33789,119 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of glutamic acid having L-configuration. + + 0 + C5H9NO4 + InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 + WHUUTDBJXJRKMK-VKHMYHEASA-N + 147.12930 + 147.05316 + N[C@@H](CCC(O)=O)C(O)=O + CHEBI:21304 + CHEBI:42825 + CHEBI:6224 + BPDB:2297 + Beilstein:1723801 + CAS:56-86-0 + DrugBank:DB00142 + Drug_Central:1310 + Gmelin:3502 + HMDB:HMDB0000148 + KEGG:C00025 + KEGG:D00007 + KNApSAcK:C00001358 + LINCS:LSM-36375 + MetaCyc:GLT + PDBeChem:GLU_LFOH + PMID:15739367 + PMID:15930465 + PMID:16719819 + PMID:16892196 + PMID:19581495 + PMID:22219301 + PMID:22735334 + Reaxys:1723801 + Wikipedia:L-Glutamic_Acid + (2S)-2-aminopentanedioic acid + L-Glutamic acid + L-glutamic acid + chebi_ontology + (S)-2-aminopentanedioic acid + (S)-glutamic acid + E + GLUTAMIC ACID + Glu + Glutamate + L-Glu + L-Glutaminic acid + L-Glutaminsaeure + acide glutamique + acido glutamico + acidum glutamicum + glutamic acid + CHEBI:16015 + + L-glutamic acid + + + + @@ -31853,6 +33933,60 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + A gamma-amino acid comprising 4-aminobutyric acid having a 2-hydroxy substituent. + + 0 + C4H9NO3 + InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8) + YQGDEPYYFWUPGO-UHFFFAOYSA-N + 119.11920 + 119.05824 + NCC(O)CC(O)=O + CHEBI:1780 + CHEBI:20311 + Beilstein:1721708 + Beilstein:1752568 + CAS:352-21-6 + Drug_Central:1263 + KEGG:C03678 + KEGG:D00174 + 4-amino-3-hydroxybutanoic acid + gamma-Amino-beta-hydroxybutyric acid + chebi_ontology + 3-hydroxy-GABA + 4-Amino-3-hydroxybutanoic acid + 4-amino-3-hydroxybutyric acid + GABOB + CHEBI:16080 + + gamma-amino-beta-hydroxybutyric acid + + + + @@ -32831,6 +34965,410 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine. + Reference: PMID: 26648539 + + 0 + C15H10O7 + InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H + REFJWTPEDVJJIY-UHFFFAOYSA-N + 302.238 + 302.04265 + OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1 + CHEBI:11704 + CHEBI:14991 + CHEBI:26472 + CHEBI:45280 + CHEBI:8696 + Beilstein:317313 + CAS:117-39-5 + DrugBank:DB04216 + Drug_Central:3514 + FooDB:FDB011904 + Gmelin:579210 + HMDB:HMDB0005794 + KEGG:C00389 + KNApSAcK:C00004631 + LINCS:LSM-4199 + LIPID_MAPS_instance:LMPK12110004 + MetaCyc:CPD-520 + PDBeChem:QUE + PMID:16226777 + PMID:17015250 + PMID:17135030 + PMID:17426744 + PMID:18096136 + PMID:18484521 + PMID:18549926 + PMID:18564899 + PMID:18579649 + PMID:18785622 + PMID:19043800 + PMID:19461927 + PMID:22920589 + PMID:23342112 + PMID:23359794 + PMID:27565033 + PMID:27589790 + PMID:27591927 + PMID:27704720 + Patent:KR20120121684 + Patent:US2013012577 + Reaxys:317313 + Wikipedia:Quercetin + 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one + Quercetin + chebi_ontology + 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one + 3,3',4',5,7-pentahydroxyflavone + 3,5,7,3',4'-PENTAHYDROXYFLAVONE + 3,5,7,3',4'-Pentahydroxyflavone + sophoretin + xanthaurine + CHEBI:16243 + + quercetin + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + The D-enantiomer of proline. + + 0 + C5H9NO2 + InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 + ONIBWKKTOPOVIA-SCSAIBSYSA-N + 115.13050 + 115.06333 + OC(=O)[C@H]1CCCN1 + CHEBI:13008 + CHEBI:21070 + CHEBI:42012 + CHEBI:42129 + CHEBI:42213 + CHEBI:4226 + CHEBI:45156 + Beilstein:80811 + CAS:344-25-2 + DrugBank:DB02853 + Gmelin:833984 + HMDB:HMDB0003411 + KEGG:C00763 + MetaCyc:D-PROLINE + PDBeChem:DPR + PMID:19023642 + PMID:20023020 + PMID:20959625 + PMID:21374575 + PMID:21563681 + PMID:22475019 + PMID:22479580 + Reaxys:80811 + Wikipedia:D-proline + D-PROLINE + D-Proline + D-proline + chebi_ontology + (2R)-pyrrolidine-2-carboxylic acid + (R)-2-Carboxypyrrolidine + (R)-pyrrolidine-2-carboxylic acid + D-Prolin + DPR + CHEBI:16313 + + D-proline + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + The (R)-enantiomer of carnitine. + + 0 + C7H15NO3 + InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1 + PHIQHXFUZVPYII-ZCFIWIBFSA-N + 161.19894 + 161.10519 + C[N+](C)(C)C[C@H](O)CC([O-])=O + CHEBI:13091 + CHEBI:21256 + CHEBI:6202 + Beilstein:4292315 + Beilstein:5732837 + CAS:541-15-1 + DrugBank:DB00583 + Drug_Central:513 + Gmelin:1782973 + HMDB:HMDB0000062 + KEGG:C00318 + KEGG:D02176 + MetaCyc:CARNITINE + PDBeChem:152 + (3R)-3-hydroxy-4-(trimethylammonio)butanoate + (R)-Carnitine + (R)-carnitine + chebi_ontology + (-)-Carnitine + (-)-L-Carnitine + 3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner salt + Carnicor + Carnitene + Carnitine + Carnitor + L-Carnitine + Levocarnitine + Vitamin BT + CHEBI:16347 + + (R)-carnitine + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of cysteine having D-configuration. + + 0 + C3H7NO2S + InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1 + XUJNEKJLAYXESH-UWTATZPHSA-N + 121.15922 + 121.01975 + N[C@H](CS)C(O)=O + CHEBI:12919 + CHEBI:20921 + CHEBI:4111 + CHEBI:41887 + Beilstein:1721407 + CAS:921-01-7 + DrugBank:DB03201 + ECMDB:ECMDB03417 + Gmelin:363236 + HMDB:HMDB0003417 + KEGG:C00793 + KNApSAcK:C00007323 + PDBeChem:DCY + PMID:13761469 + PMID:23340406 + PMID:24800864 + Reaxys:1721407 + YMDB:YMDB00913 + D-CYSTEINE + D-Cysteine + D-cysteine + chebi_ontology + (2S)-2-amino-3-mercaptopropanoic acid + (2S)-2-amino-3-sulfanylpropanoic acid + (S)-2-amino-3-mercaptopropanoic acid + D-Amino-3-mercaptopropionic acid + D-Cystein + D-Zystein + DCY + CHEBI:16375 + + D-cysteine + + + + @@ -32860,6 +35398,87 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of threonine having D-configuration. + + 0 + C4H9NO3 + InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1 + AYFVYJQAPQTCCC-STHAYSLISA-N + 119.11920 + 119.05824 + C[C@H](O)[C@@H](N)C(O)=O + CHEBI:13027 + CHEBI:21107 + CHEBI:42146 + CHEBI:42196 + CHEBI:42224 + CHEBI:4254 + CHEBI:45935 + CHEBI:45990 + Beilstein:1721643 + Beilstein:4656043 + CAS:632-20-2 + DrugBank:DB03700 + ECMDB:ECMDB21519 + Gmelin:874136 + HMDB:HMDB0013775 + KEGG:C00820 + PDBeChem:DTH + PMID:15375647 + PMID:17081141 + PMID:22176976 + Reaxys:1721643 + YMDB:YMDB00802 + D-THREONINE + D-Threonine + D-threonine + chebi_ontology + (2R,3S)-2-amino-3-hydroxybutanoic acid + D-2-Amino-3-hydroxybutyric acid + D-Threonin + DTH + CHEBI:16398 + + D-threonine + + + + @@ -32991,12 +35610,36 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. 0 @@ -33139,6 +35782,124 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + The L-enantiomer of methionine. + + 0 + C5H11NO2S + InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 + FFEARJCKVFRZRR-BYPYZUCNSA-N + 149.21238 + 149.05105 + CSCC[C@H](N)C(O)=O + CHEBI:13141 + CHEBI:21360 + CHEBI:43990 + CHEBI:6271 + CAS:63-68-3 + DrugBank:DB00134 + Drug_Central:3347 + ECMDB:ECMDB00696 + Gmelin:26935 + HMDB:HMDB0000696 + KEGG:C00073 + KEGG:D00019 + KNApSAcK:C00001379 + MetaCyc:MET + PDBeChem:MET_LFOH + PMID:16575097 + PMID:21683740 + PMID:21946918 + PMID:22200379 + PMID:22370952 + PMID:22448874 + PMID:22517898 + PMID:24126240 + PMID:24939187 + PMID:5764336 + Reaxys:1722294 + YMDB:YMDB00318 + L-Methionine + L-methionine + chebi_ontology + (2S)-2-amino-4-(methylsulfanyl)butanoic acid + (S)-2-amino-4-(methylthio)butanoic acid + (S)-2-amino-4-(methylthio)butyric acid + (S)-methionine + L-(-)-methionine + L-Methionin + L-alpha-amino-gamma-methylmercaptobutyric acid + M + METHIONINE + Met + Methionine + CHEBI:16643 + + L-methionine + + + + @@ -33154,6 +35915,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p chebi_ontology Kohlenhydrat Kohlenhydrate + a carbohydrate carbohidrato carbohidratos glucide @@ -33216,6 +35978,27 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + an N-acyl-ethanolamine where the acyl group is a fatty acyl chain with composition not specified, major species at pH 7.3. + + 0 + C3H6NO2R + 88.085 + 88.03985 + N(C(*)=O)(CCO)[H] + chebi_ontology + an N-(fatty acyl)-ethanolamine + CHEBI:167098 + + N-(fatty acyl)-ethanolamine + + + + @@ -33378,7 +36161,62 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4. 0 @@ -33430,6 +36268,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -33496,6 +36340,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -33510,6 +36360,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases. PMID: 27344959 + Reference: PMID: 5799033 https://www.drugbank.ca/drugs/DB01024 0 @@ -33579,6 +36430,322 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + The D-enantiomer of the alpha-amino acid lysine. + + 0 + C6H14N2O2 + InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1 + KDXKERNSBIXSRK-RXMQYKEDSA-N + 146.18764 + 146.10553 + NCCCC[C@@H](N)C(O)=O + CHEBI:12994 + CHEBI:21046 + CHEBI:4203 + CHEBI:42062 + Beilstein:1722530 + CAS:923-27-3 + DrugBank:DB03252 + Gmelin:1926332 + HMDB:HMDB0003405 + KEGG:C00739 + MetaCyc:CPD-219 + PDBeChem:DLY + PMID:10571145 + PMID:10930630 + PMID:125972 + PMID:15561717 + PMID:15914930 + PMID:16595662 + PMID:17259313 + PMID:22569959 + PMID:23023754 + PMID:23090865 + PMID:2435906 + PMID:2493343 + PMID:2503300 + PMID:2510957 + PMID:4359655 + PMID:4391118 + PMID:4710063 + PMID:5128165 + PMID:6448848 + PMID:7563967 + PMID:77880 + PMID:8063049 + PMID:8234494 + PMID:8405749 + PMID:9163947 + PMID:9430472 + Reaxys:1722530 + (2R)-2,6-diaminohexanoic acid + D-LYSINE + D-Lysine + D-lysine + chebi_ontology + (R)-2,6-diaminohexanoic acid + D-2,6-Diaminohexanoic acid + D-Lysin + DLY + CHEBI:16855 + + D-lysine + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of threonine having L-configuration. + + 0 + C4H9NO3 + InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 + AYFVYJQAPQTCCC-GBXIJSLDSA-N + 119.11920 + 119.05824 + C[C@@H](O)[C@H](N)C(O)=O + CHEBI:13175 + CHEBI:21403 + CHEBI:42083 + CHEBI:45843 + CHEBI:45983 + CHEBI:6308 + Beilstein:1721646 + CAS:72-19-5 + DrugBank:DB00156 + Drug_Central:4254 + ECMDB:ECMDB00167 + Gmelin:82510 + HMDB:HMDB0000167 + KEGG:C00188 + KEGG:D00041 + KNApSAcK:C00001394 + PDBeChem:THR + PMID:11964235 + PMID:12523390 + PMID:16659349 + PMID:17379183 + PMID:22289691 + PMID:22342587 + PMID:22513921 + PMID:22770225 + PMID:24671569 + Reaxys:1721646 + UM-BBD_compID:c0413 + Wikipedia:Threonine + YMDB:YMDB00214 + L-Threonine + L-threonine + chebi_ontology + (2S)-threonine + (2S,3R)-(-)-Threonine + (2S,3R)-2-amino-3-hydroxybutanoic acid + 2-Amino-3-hydroxybutyric acid + L-(-)-Threonine + L-2-Amino-3-hydroxybutyric acid + L-Threonin + L-alpha-amino-beta-hydroxybutyric acid + T + THREONINE + Thr + CHEBI:16857 + + L-threonine + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of methionine having D-configuration. + + 0 + C5H11NO2S + InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1 + FFEARJCKVFRZRR-SCSAIBSYSA-N + 149.21238 + 149.05105 + CSCC[C@@H](N)C(O)=O + CHEBI:13005 + CHEBI:21065 + CHEBI:4215 + CHEBI:44071 + Beilstein:1722293 + CAS:348-67-4 + DrugBank:DB02893 + ECMDB:ECMDB21203 + Gmelin:26934 + KEGG:C00855 + MetaCyc:CPD-218 + PDBeChem:MED + PMID:15375647 + PMID:20431016 + PMID:20872028 + PMID:21480759 + PMID:21750343 + PMID:21924333 + PMID:22192214 + PMID:22304623 + PMID:318639 + Reaxys:1722293 + YMDB:YMDB00816 + D-METHIONINE + D-Methionine + D-methionine + chebi_ontology + (2R)-2-amino-4-(methylsulfanyl)butanoic acid + (R)-2-amino-4-(methylthio)butanoic acid + (R)-methionine + D-2-Amino-4-(methylthio)butyric acid + D-Methionin + MED + CHEBI:16867 + + D-methionine + + + + @@ -33681,6 +36848,31 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Reference: PMID: 33031085 + + 0 + C10H7N3O4S + InChI=1S/C10H7N3O4S/c14-7-4-2-1-3-6(7)9(15)12-10-11-5-8(18-10)13(16)17/h1-5,14H,(H,11,12,15) + FDTZUTSGGSRHQF-UHFFFAOYSA-N + 265.240 + 265.01573 + S1C(NC(=O)C=2C(O)=CC=CC2)=NC=C1[N+]([O-])=O + CAS:173903-47-4 + Chemspider:349588 + HMDB:HMDB0060597 + 2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide + chebi_ontology + CHEBI:169666 + + Desacetyl-nitazoxanide + + + + @@ -33859,6 +37051,18 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + @@ -33889,6 +37093,18 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + @@ -33896,6 +37112,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p A C21-steroid hormone in which a pregnane skeleton carries oxo substituents at positions 3 and 20 and is unsaturated at C(4)-C(5). As a hormone, it is involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species. + Reference: PMID: 21084640 0 C21H30O2 @@ -34171,6 +37388,135 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + A short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid). + + -1 + C6H11O2 + InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1 + FUZZWVXGSFPDMH-UHFFFAOYSA-M + 115.15034 + 115.07645 + CCCCCC([O-])=O + CHEBI:14398 + CHEBI:24569 + Beilstein:3601453 + CAS:151-33-7 + ECMDB:ECMDB21229 + Gmelin:326340 + KEGG:C01585 + MetaCyc:HEXANOATE + hexanoate + chebi_ontology + 1-hexanoate + 1-pentacarboxylate + 1-pentanecarboxylate + CH3-[CH2]4-COO(-) + butylacetate + caproate + capronate + hexoate + hexylate + n-caproate + n-hexanoate + n-hexoate + n-hexylate + nPnCO2 anion + pentanecarboxylate + pentylformate + CHEBI:17120 + + hexanoate + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4. + + 0 + C7H15NO3 + InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 + PHIQHXFUZVPYII-UHFFFAOYSA-N + 161.19894 + 161.10519 + C[N+](C)(C)CC(O)CC([O-])=O + CHEBI:11817 + CHEBI:13947 + CHEBI:20047 + CHEBI:23038 + Beilstein:1866665 + CAS:461-06-3 + DrugBank:DB02648 + KEGG:C00487 + MetaCyc:DL-CARNITINE + PMID:22770225 + PMID:23868375 + Patent:US4255449 + Patent:US4315944 + Reaxys:1866665 + Wikipedia:Carnitine + 3-hydroxy-4-(trimethylammonio)butanoate + carnitine + chebi_ontology + D,L-carnitine + CHEBI:17126 + + carnitine + + + + @@ -34269,6 +37615,299 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of asparagine having L-configuration. + + 0 + C4H8N2O3 + InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1 + DCXYFEDJOCDNAF-REOHCLBHSA-N + 132.11800 + 132.05349 + N[C@@H](CC(N)=O)C(O)=O + CHEBI:13083 + CHEBI:21242 + CHEBI:40902 + CHEBI:6191 + Beilstein:1723527 + CAS:70-47-3 + DrugBank:DB00174 + Drug_Central:4126 + ECMDB:ECMDB00168 + FooDB:FDB000787 + Gmelin:3334 + HMDB:HMDB0000168 + KEGG:C00152 + KNApSAcK:C00001341 + MetaCyc:ASN + PDBeChem:ASN + PMID:12142634 + PMID:15907185 + PMID:16190636 + PMID:16368161 + PMID:16668324 + PMID:17497286 + PMID:21800258 + PMID:21854356 + PMID:22513289 + Reaxys:1723527 + Wikipedia:Asparagine + YMDB:YMDB00226 + L-Asparagine + L-asparagine + chebi_ontology + (2S)-2,4-diamino-4-oxobutanoic acid + (2S)-2-amino-3-carbamoylpropanoic acid + (S)-2-amino-3-carbamoylpropanoic acid + (S)-Asparagine + 2-Aminosuccinamic acid + ASPARAGINE + Asn + Aspartamic acid + L-2-aminosuccinamic acid + L-Asparagin + L-aspartic acid beta-amide + N + alpha-aminosuccinamic acid + CHEBI:17196 + + L-asparagine + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Pyrrolidine in which the pro-S hydrogen at position 2 is substituted by a carboxylic acid group. L-Proline is the only one of the twenty DNA-encoded amino acids which has a secondary amino group alpha to the carboxyl group. It is an essential component of collagen and is important for proper functioning of joints and tendons. It also helps maintain and strengthen heart muscles. + + 0 + C5H9NO2 + InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 + ONIBWKKTOPOVIA-BYPYZUCNSA-N + 115.13050 + 115.06333 + OC(=O)[C@@H]1CCCN1 + CHEBI:13154 + CHEBI:184637 + CHEBI:21373 + CHEBI:42067 + CHEBI:45040 + CHEBI:45100 + CHEBI:45159 + CHEBI:6286 + Beilstein:80810 + CAS:147-85-3 + DrugBank:DB00172 + Drug_Central:4125 + Gmelin:50152 + HMDB:HMDB0000162 + KEGG:C00148 + KEGG:D00035 + KNApSAcK:C00001388 + MetaCyc:PRO + PDBeChem:PRO + PMID:11076505 + PMID:12770004 + PMID:14975886 + PMID:15576824 + PMID:15838615 + PMID:15894682 + PMID:15973048 + PMID:16033917 + PMID:16190672 + PMID:16501220 + PMID:16656443 + PMID:16657874 + PMID:16668324 + PMID:17127472 + PMID:17608428 + PMID:18551589 + PMID:18802692 + PMID:18973300 + PMID:19215998 + PMID:19580280 + PMID:19656302 + PMID:19688381 + PMID:19811425 + PMID:22139509 + PMID:22201772 + PMID:22451406 + PMID:22475019 + PMID:22482728 + PMID:22491679 + PMID:22770225 + Reaxys:80810 + Wikipedia:L-proline + L-Proline + L-proline + chebi_ontology + (-)-(S)-proline + (-)-2-pyrrolidinecarboxylic acid + (-)-proline + (2S)-pyrrolidine-2-carboxylic acid + (S)-2-carboxypyrrolidine + (S)-2-pyrrolidinecarboxylic acid + (S)-pyrrolidine-2-carboxylic acid + 2-Pyrrolidinecarboxylic acid + L-(-)-proline + L-Prolin + L-alpha-pyrrolidinecarboxylic acid + L-pyrrolidine-2-carboxylic acid + P + PROLINE + prolina + proline + prolinum + CHEBI:17203 + + L-proline + + + + @@ -34521,6 +38160,57 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + A primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens. + + 0 + C6H7N + InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2 + PAYRUJLWNCNPSJ-UHFFFAOYSA-N + 93.12650 + 93.05785 + Nc1ccccc1 + CHEBI:13834 + CHEBI:22561 + CHEBI:2732 + CHEBI:40796 + Beilstein:605631 + CAS:62-53-3 + DrugBank:DB06728 + Gmelin:2796 + HMDB:HMDB0003012 + KEGG:C00292 + MetaCyc:ANILINE + PDBeChem:ANL + PMID:11304127 + PMID:17135213 + PMID:23821252 + PMID:3779628 + PMID:6205897 + Reaxys:605631 + Wikipedia:Aniline + ANILINE + Aniline + aniline + chebi_ontology + Anilin + Benzenamine + Phenylamine + aminobenzene + aminophen + benzeneamine + kyanol + CHEBI:17296 + + aniline + + + + @@ -34529,18 +38219,39 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms. PMID:32015325 + PMID:32256352 PMID:32413317 PMID:33495651 Wikipedia:Ferroptosis chebi_ontology ferroptosis inhibitors CHEBI:173084 - + ferroptosis inhibitor + + + + + Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms. + + PMID:31899616 + PMID:32015325 + PMID:33167414 + PMID:34012798 + Wikipedia:Ferroptosis + chebi_ontology + ferroptosis inducers + CHEBI:173085 + + ferroptosis inducer + + + + @@ -34584,6 +38295,144 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + Any carboxylic ester obtained by the O-acylation of carnitine. + + CHEBI:12712 + CHEBI:7673 + chebi_ontology + CHEBI:17387 + + O-acylcarnitine + + + + + + + + + + + + + + + + + + + + + + A straight-chain saturated fatty acid containing five carbon atoms. + + 0 + C5H10O2 + InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) + NQPDZGIKBAWPEJ-UHFFFAOYSA-N + 102.13170 + 102.06808 + CCCCC(O)=O + CHEBI:113448 + CHEBI:27263 + CHEBI:27264 + CHEBI:43606 + CHEBI:44803 + CHEBI:7980 + Beilstein:969454 + CAS:109-52-4 + DrugBank:DB02406 + Gmelin:26714 + HMDB:HMDB0000892 + KEGG:C00803 + KNApSAcK:C00001208 + LIPID_MAPS_instance:LMFA01010005 + PDBeChem:LEA + PMID:20507156 + PPDB:3130 + Reaxys:969454 + Wikipedia:Valeric_acid + Valeric acid + pentanoic acid + chebi_ontology + 1-butanecarboxylic acid + CH3-[CH2]3-COOH + PENTANOIC ACID + Pentanoate + Pentanoic acid + Valerate + Valerianic acid + Valeriansaeure + n-BuCOOH + n-Pentanoate + n-Valeric acid + n-pentanoic acid + n-valeric acid + pentoic acid + propylacetic acid + valeric acid, normal + CHEBI:17418 + + valeric acid + + + + + + + + + + + + + + + A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group. + + 0 + CHOR + 29.01800 + 29.00274 + [H]C([*])=O + CHEBI:13432 + CHEBI:13753 + CHEBI:13805 + CHEBI:13806 + CHEBI:22291 + CHEBI:2554 + CHEBI:8750 + KEGG:C00071 + Aldehyde + aldehyde + aldehydes + chebi_ontology + Aldehyd + RC(=O)H + RCHO + aldehido + aldehidos + aldehydes + aldehydum + an aldehyde + CHEBI:17478 + + aldehyde + + + + @@ -34744,6 +38593,113 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of cysteine having L-configuration. + + 0 + C3H7NO2S + InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 + XUJNEKJLAYXESH-REOHCLBHSA-N + 121.15800 + 121.01975 + N[C@@H](CS)C(O)=O + CHEBI:13095 + CHEBI:21261 + CHEBI:41227 + CHEBI:41700 + CHEBI:41768 + CHEBI:41781 + CHEBI:41811 + CHEBI:6207 + Beilstein:1721408 + CAS:52-90-4 + DrugBank:DB00151 + Drug_Central:769 + ECMDB:ECMDB00574 + Gmelin:49991 + HMDB:HMDB0000574 + KEGG:C00097 + KEGG:D00026 + KNApSAcK:C00001351 + MetaCyc:CYS + PDBeChem:CYS + PMID:11732994 + PMID:13761469 + PMID:22735334 + Reaxys:1721408 + Wikipedia:Cysteine + YMDB:YMDB00046 + L-Cysteine + L-cysteine + chebi_ontology + (2R)-2-amino-3-mercaptopropanoic acid + (2R)-2-amino-3-sulfanylpropanoic acid + (R)-2-amino-3-mercaptopropanoic acid + C + CYSTEINE + Cys + E 920 + E-920 + E920 + FREE CYSTEINE + L-2-Amino-3-mercaptopropionic acid + L-Cystein + L-Zystein + CHEBI:17561 + + L-cysteine + + + + @@ -35171,6 +39127,34 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. + + PMID:23372317 + PMID:28580190 + PMID:30885572 + PMID:33144142 + PMID:33973253 + PMID:34606237 + Wikipedia:Geroprotector + chebi_ontology + anti-aging agent + anti-aging agents + anti-aging drug + anti-aging drugs + geroprotective agent + geroprotective agents + geroprotectors + CHEBI:176497 + + geroprotector + + + + @@ -35203,6 +39187,169 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin. + + vitamin B9 + chebi_ontology + folate vitamer + folate vitamers + vitamin B-9 + vitamin B9 vitamer + vitamin B9 vitamers + vitamins B9 + CHEBI:176842 + + vitamin B9 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An organochlorine compound that is dichloro-substituted acetamide containing a nitrobenzene ring, an amide bond and two alcohol functions. + Reference: PMID: 23148581 + + 0 + C11H12Cl2N2O5 + InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1 + WIIZWVCIJKGZOK-RKDXNWHRSA-N + 323.130 + 322.01233 + C1=C([C@H]([C@H](NC(C(Cl)Cl)=O)CO)O)C=CC(=C1)[N+]([O-])=O + CHEBI:13965 + CHEBI:23106 + CHEBI:23108 + CHEBI:3603 + CHEBI:47327 + Beilstein:2225532 + CAS:56-75-7 + Chemspider:5744 + DrugBank:DB00446 + Drug_Central:589 + HMDB:HMDB0014589 + KEGG:C00918 + KEGG:D00104 + LINCS:LSM-5256 + MetaCyc:CHLORAMPHENICOL + PDBeChem:CLM + PMID:11468347 + PMID:12217690 + PMID:16659995 + PMID:16897441 + PMID:17217404 + PMID:17692887 + PMID:17963326 + PMID:18559535 + PMID:18657290 + PMID:18794387 + PMID:23142491 + PMID:23317719 + PMID:23395526 + PMID:23494278 + PMID:23512826 + PMID:23698443 + PMID:657786 + PMID:6653106 + PMID:7040026 + Patent:GB795131 + Patent:GB796901 + Patent:US2483871 + Patent:US2483884 + Patent:US2483892 + Patent:US2839577 + Pesticides:chloramphenicol + VSDB:1835 + Wikipedia:Chloramphenicol + 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide + CHLORAMPHENICOL + Chloramphenicol + chloramphenicol + chebi_ontology + (-)-chloramphenicol + Amphicol + Chloramex + Chlorocid + Chlorocol + Chloromycetin + D-(-)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenylethyl)acetamide + D-(-)-threo-1-p-nitrophenyl-2-dichloroacetylamino-1,3-propanediol + Econochlor + Fenicol + Globenicol + Halomycetin + Oleomycetin + Sificetina + chloramphenicol + chloramphenicolum + chlornitromycin + cloramfenicol + laevomycetinum + levomicetina + levomycetin + CHEBI:17698 + + chloramphenicol + + + + @@ -35500,6 +39647,192 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of tyrosine having L-configuration. + + 0 + C9H11NO3 + InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 + OUYCCCASQSFEME-QMMMGPOBSA-N + 181.18858 + 181.07389 + N[C@@H](Cc1ccc(O)cc1)C(O)=O + CHEBI:13181 + CHEBI:21411 + CHEBI:46070 + CHEBI:46161 + CHEBI:6313 + Beilstein:392441 + CAS:60-18-4 + DrugBank:DB00135 + Drug_Central:2786 + ECMDB:ECMDB00158 + Gmelin:50929 + HMDB:HMDB0000158 + KEGG:C00082 + KEGG:D00022 + KNApSAcK:C00001397 + MetaCyc:TYR + PDBeChem:TYR + PMID:15171683 + PMID:22360849 + PMID:22402312 + Reaxys:392441 + UM-BBD_compID:c0234 + Wikipedia:Tyrosine + YMDB:YMDB00364 + L-Tyrosine + L-tyrosine + chebi_ontology + (-)-alpha-amino-p-hydroxyhydrocinnamic acid + (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid + (S)-(-)-Tyrosine + (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid + (S)-3-(p-Hydroxyphenyl)alanine + (S)-Tyrosine + (S)-alpha-amino-4-hydroxybenzenepropanoic acid + 4-hydroxy-L-phenylalanine + L-Tyrosin + TYROSINE + Tyr + Tyrosine + Y + CHEBI:17895 + + L-tyrosine + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group. + + -1 + C4H7O2 + InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1 + FERIUCNNQQJTOY-UHFFFAOYSA-M + 87.09718 + 87.04515 + CCCC([O-])=O + CHEBI:13924 + CHEBI:22946 + Beilstein:3601060 + CAS:461-55-2 + Gmelin:324289 + KEGG:C00246 + MetaCyc:BUTYRIC_ACID + PMID:17190852 + PMID:7496326 + Reaxys:3601060 + UM-BBD_compID:c0035 + butanoate + butyrate + chebi_ontology + 1-butanoate + 1-butyrate + 1-propanecarboxylate + CH3-[CH2]2-COO(-) + butanate + butanoate + butanoic acid, ion(1-) + n-butanoate + n-butyrate + propanecarboxylate + propylformate + CHEBI:17968 + + butyrate + + + + @@ -35648,6 +39981,207 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An L-alpha-amino acid; the L-isomer of lysine. + + 0 + C6H14N2O2 + InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 + KDXKERNSBIXSRK-YFKPBYRVSA-N + 146.18764 + 146.10553 + NCCCC[C@H](N)C(O)=O + CHEBI:13135 + CHEBI:21351 + CHEBI:43950 + CHEBI:6264 + Beilstein:1722531 + CAS:56-87-1 + DrugBank:DB00123 + Drug_Central:1622 + ECMDB:ECMDB00182 + Gmelin:364182 + HMDB:HMDB0000182 + KEGG:C00047 + KEGG:D02304 + KNApSAcK:C00001378 + MetaCyc:LYS + PMID:10930630 + PMID:16901854 + PMID:17051348 + PMID:17979222 + PMID:22019452 + PMID:22064742 + PMID:22575419 + PMID:22735334 + PMID:23167968 + PMID:23325920 + PMID:23722415 + PMID:24064214 + PMID:24831709 + PMID:25108762 + PMID:8070089 + PMID:8587651 + Reaxys:1722531 + Wikipedia:Lysine + YMDB:YMDB00330 + (2S)-2,6-diaminohexanoic acid + L-Lysine + L-lysine + chebi_ontology + (S)-2,6-diaminohexanoic acid + (S)-alpha,epsilon-diaminocaproic acid + (S)-lysine + 6-ammonio-L-norleucine + K + L-2,6-Diaminocaproic acid + L-Lysin + Lys + Lysine acid + lysina + lysine + lysinum + CHEBI:18019 + + L-lysine + + + + + + + + + + + + + + + + + + + + + + + + A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an aminocarbonyl group at position 3. It is the major catabolite and aglycon of ribavirin. + + 0 + C3H4N4O + InChI=1S/C3H4N4O/c4-2(8)3-5-1-6-7-3/h1H,(H2,4,8)(H,5,6,7) + ZEWJFUNFEABPGL-UHFFFAOYSA-N + 112.092 + 112.03851 + NC(=O)C1=NNC=N1 + CAS:3641-08-5 + Chemspider:58634 + HMDB:HMDB0244869 + PMID:1368697 + PMID:1368721 + PMID:17845853 + PMID:21202621 + PMID:212973 + PMID:2737800 + PMID:6660848 + Reaxys:775120 + 1H-1,2,4-triazole-3-carboxamide + chebi_ontology + 3-(aminocarbonyl)-1H-1,2,4-triazole + 3-carbamoyl-1H-1,2,4-triazole + CHEBI:180482 + + 1,2,4-triazole-3-carboxamide + + + + @@ -35671,6 +40205,41 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + Reference: PMID: 17868033 + + 0 + C33H47N5O6 + InChI=1S/C33H47N5O6/c1-5-23(39)13-7-6-8-15-25-30(40)35-26(19-22-20-38(44-4)27-16-10-9-14-24(22)27)31(41)36-29(21(2)3)33(43)37-18-12-11-17-28(37)32(42)34-25/h9-10,14,16,20-21,25-26,28-29H,5-8,11-13,15,17-19H2,1-4H3,(H,34,42)(H,35,40)(H,36,41)/t25-,26-,28+,29-/m0/s1 + GWLHFNKLJRZBAI-KGKLHAENSA-N + 609.768 + 609.35263 + O=C1N2[C@](CCCC2)(C(=O)N[C@@H](CCCCCC(=O)CC)C(=O)N[C@H](C(=O)N[C@H]1C(C)C)CC=3C=4C(N(OC)C3)=CC=CC4)[H] + Chemspider:8049363 + (3S,6S,9S,12R)-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-3-propan-2-yl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone + chebi_ontology + CHEBI:180988 + + Apicidin C + + + + @@ -35737,12 +40306,36 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring. 0 @@ -35785,6 +40378,24 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. 0 @@ -36082,6 +40693,961 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A lactone having a six-membered lactone ring. + + delta-lactone + chebi_ontology + 1,5-lactone + 1,5-lactones + delta-lactona + delta-lactonas + delta-lactones + CHEBI:18946 + + delta-lactone + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A member of the class of benzimidazoles that is 1H-benzimidazole substituted by (1S)-1-cyclohexylethyl, 6-bromo-1,3-benzodioxol-5-yl, and 4-(cyanoanilino)acyl groups at positions 1, 2 and 5, respectively. It is an allosteric modulator of protease-activated receptor 2 (IC50 = 23 nM) and exhibits anti-osteoarthritis properties. + Reference: PMID: 28445455 + + 0 + C30H27BrN4O3 + InChI=1S/C30H27BrN4O3/c1-18(20-5-3-2-4-6-20)35-26-12-9-21(30(36)33-22-10-7-19(16-32)8-11-22)13-25(26)34-29(35)23-14-27-28(15-24(23)31)38-17-37-27/h7-15,18,20H,2-6,17H2,1H3,(H,33,36)/t18-/m0/s1 + FJAOGFGHTPYADT-SFHVURJKSA-N + 571.475 + 570.12665 + C[C@@H](C1CCCCC1)N1C2=CC=C(C=C2N=C1C1=CC2=C(OCO2)C=C1Br)C(=O)NC1=CC=C(C=C1)C#N + CAS:2100284-59-9 + Chemspider:59053349 + PDBeChem:8UN + PMID:28445455 + PMID:29457894 + PMID:29798827 + PMID:31841119 + PMID:33242065 + PMID:34307771 + PMID:34590836 + 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-cyanophenyl)-1-[(1S)-1-cyclohexylethyl]-1H-benzimidazole-5-carboxamide + chebi_ontology + AZ 3451 + AZ-3451 + CHEBI:189647 + + AZ3451 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities. + Reference: PMID: 16891467 + + 0 + C24H38N2O + InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3 + PHRCDWVPTULQMT-UHFFFAOYSA-N + 370.581 + 370.29841 + COC1=CC=CC2=C1CCCC2CCCN1CCN(CC1)C1CCCCC1 + CAS:172906-90-0 + Chemspider:8649746 + PMID:15322732 + PMID:16687172 + PMID:16891467 + PMID:18178434 + PMID:19200007 + PMID:19842660 + PMID:20021355 + PMID:20077462 + PMID:21229979 + PMID:21684636 + PMID:21744858 + PMID:22890883 + PMID:23399765 + PMID:24697311 + PMID:25637276 + PMID:28086830 + PMID:28764962 + PMID:29438891 + PMID:31994091 + PMID:33052254 + PMID:33364961 + PMID:34783163 + Wikipedia:PB-28 + 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine + chebi_ontology + 1-(3-(5-methoxytetralin-1-yl)propyl)-4-cyclohexylpiperazine + 1-cyclohexyl-4-[3-(1,2,3,4-tetrahydro-5-methoxy-1-naphthalenyl)propyl]piperazine + 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-n-propyl]piperazine + PB 28 + PB-28 + CHEBI:189648 + + PB28 + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 18720984 + + 0 + C25H20BrN5O3 + InChI=1S/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)/b28-15+ + UCUHFWIFSHROPY-RWPZCVJISA-N + 518.371 + 517.07495 + C\C(=N/NC(=O)C(NC(=O)C1=CC=CC=C1)C1=NNC(=O)C2=CC=CC=C12)C1=CC=CC(Br)=C1 + ChemIDplus:9589606 + N-[2-{(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl}-2-oxo-1-(4-oxo-3,4-dihydrophthalazin-1-yl)ethyl]benzamide + chebi_ontology + AC 55541 + AC55541 + CHEBI:189649 + + AC-55541 + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 26651998 + + +1 + C60H65O34 + InChI=1S/C60H64O34/c61-19-35-44(71)48(75)52(79)57(91-35)86-28-9-3-24(4-10-28)6-12-41(68)84-21-37-46(73)50(77)54(81)59(93-37)89-33-14-25(13-32(43(33)70)88-58-53(80)49(76)45(72)36(92-58)20-83-40(67)11-5-23-1-7-26(62)8-2-23)56-34(17-29-30(64)15-27(63)16-31(29)87-56)90-60-55(82)51(78)47(74)38(94-60)22-85-42(69)18-39(65)66/h1-17,35-38,44-55,57-61,71-82H,18-22H2,(H4-,62,63,64,65,66,67,70)/p+1/b12-6+/t35-,36-,37-,38-,44-,45-,46-,47-,48+,49+,50+,51+,52-,53-,54-,55?,57-,58-,59-,60-/m1/s1 + LPANCZMXTVCHJO-YHXPGJEVSA-O + 1330.145 + 1329.33518 + O1[C@@]([C@@](O[H])([C@](O[H])([C@@](O[H])([C@@]1(OC=2C(O[H])=C(O[C@@]3(O[C@@]([C@@](O[H])([C@](O[H])([C@]3(O[H])[H])[H])[H])(C(OC(=O)/C(=C(/C4=C(C(=C(O[H])C(=C4[H])[H])[H])[H])\[H])/[H])([H])[H])[H])[H])C(=C(C5=[O+]C=6C(C(=C5O[C@@]7(O[C@@]([C@@](O[H])([C@](O[H])([C@]7(O[H])[H])[H])[H])(C(OC(=O)C(C(O[H])=O)([H])[H])([H])[H])[H])[H])[H])=C(O[H])C(=C(O[H])C6[H])[H])C2[H])[H])[H])[H])[H])[H])(C(OC(=O)/C(=C(/C8=C(C(=C(O[C@@]9(O[C@@]([C@@](O[H])([C@](O[H])([C@]9(O[H])[H])[H])[H])(C(O[H])([H])[H])[H])[H])C(=C8[H])[H])[H])[H])\[H])/[H])([H])[H])[H] + ChemIDplus:11981715 + chebi_ontology + CHEBI:189650 + + Ternatin 4 (DA3) + + + + + + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 29764999 + + 0 + C42H45ClN8O7S + InChI=1S/C42H45ClN8O7S/c1-23-24(2)59-42-35(23)37(26-13-15-27(43)16-14-26)46-29(38-49-48-25(3)50(38)42)21-33(53)44-19-8-6-4-5-7-9-20-45-34(54)22-58-31-12-10-11-28-36(31)41(57)51(40(28)56)30-17-18-32(52)47-39(30)55/h10-16,29-30H,4-9,17-22H2,1-3H3,(H,44,53)(H,45,54)(H,47,52,55)/t29-,30?/m0/s1 + JGQPZPLJOBHHBK-UFXYQILXSA-N + 841.380 + 840.28204 + ClC1=C(C(=C(C2=N[C@](C=3N(C=4SC(=C(C42)C([H])([H])[H])C([H])([H])[H])C(=NN3)C([H])([H])[H])(C(C(=O)N(C(C(C(C(C(C(C(C(N(C(=O)C(OC=5C=6C(=O)N(C7(C(C(C(=O)N(C7=O)[H])([H])[H])([H])[H])[H])C(=O)C6C(=C(C5[H])[H])[H])([H])[H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])[H])([H])[H])[H])C(=C1[H])[H])[H])[H] + ChemIDplus:121427831 + chebi_ontology + CHEBI:189651 + + dBET6 + + + + + + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 26035625 + + 0 + C49H60ClN9O8S2 + InChI=1S/C49H60ClN9O8S2/c1-28-30(3)69-48-41(28)42(33-12-14-35(50)15-13-33)54-37(45-57-56-31(4)59(45)48)23-39(61)51-16-17-65-18-19-66-20-21-67-26-40(62)55-44(49(5,6)7)47(64)58-25-36(60)22-38(58)46(63)52-24-32-8-10-34(11-9-32)43-29(2)53-27-68-43/h8-15,27,36-38,44,60H,16-26H2,1-7H3,(H,51,61)(H,52,63)(H,55,62)/t36-,37+,38+,44-/m1/s1 + PTAMRJLIOCHJMQ-PYNGZGNASA-N + 1002.640 + 1001.36948 + ClC1=C(C(=C(C2=N[C@](C=3N(C=4SC(=C(C42)C([H])([H])[H])C([H])([H])[H])C(=NN3)C([H])([H])[H])(C(C(=O)N(C(C(OC(C(OC(C(OC(C(=O)N([C@@](C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C(=O)N5[C@@](C([C@@](O[H])(C5([H])[H])[H])([H])[H])(C(=O)N(C(C6=C(C(=C(C(=C6[H])[H])C=7SC(=NC7C([H])([H])[H])[H])[H])[H])([H])[H])[H])[H])[H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])[H])([H])[H])[H])C(=C1[H])[H])[H])[H] + ChemIDplus:122201421 + chebi_ontology + CHEBI:189652 + + MZ1 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An organic heterotricyclic compound that is 4H-[1,2]oxazolo[5,4-d][2]benzazepine substituted by methyl, 2-amino-2-oxoethyl, and 4-chlorophenyl groups at positions 1, 4S and 6, respectively. It is a small molecule inhibitor of bromodomain and extra-terminal (BET) proteins and exhibits antineoplastic activity. + Reference: PMID: 26815195 + + 0 + C20H16ClN3O2 + InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1 + GCWIQUVXWZWCLE-INIZCTEOSA-N + 365.820 + 365.09310 + CC1=NOC2=C1C1=C(C=CC=C1)C(=NC2CC(N)=O)C1=CC=C(Cl)C=C1 + CAS:1380087-89-7 + Chemspider:32738784 + PMID:26815195 + PMID:27890933 + PMID:30529073 + PMID:31729905 + PMID:32245330 + PMID:32927276 + PMID:33509905 + PMID:33574760 + PMID:33925695 + PMID:35114569 + Wikipedia:CPI-0610 + 2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide + chebi_ontology + 2-((4S)-6-(4-chlorophenyl)-1-methyl-4H-isoxazolo[5,4-d][2]benzazepin-4-yl)acetamide + CPI 0610 + CPI-0610 + CPI-0610 anhydrous + CPI-232 + CPI0610 + pelabresib + pelabresibum + CHEBI:189653 + + pelabresib + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 21507972 + + 0 + C22H14ClNO4S2 + InChI=1S/C22H14ClNO4S2/c23-17-8-6-14(10-16(17)21(26)27)18-9-7-15(28-18)11-19-20(25)24(22(29)30-19)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,26,27)/b19-11+ + WOBPZFKXPCYOLU-YBFXNURJSA-N + 455.930 + 455.00528 + ClC1=C(C(=C(C=2OC(\C(=C/3\SC(=S)N(C(C4=C(C(=C(C(=C4[H])[H])[H])[H])[H])([H])[H])C3=O)\[H])=C(C2[H])[H])C(=C1[H])[H])[H])C(O[H])=O + chebi_ontology + CHEBI:189654 + + 4E2RCat + + + + + + + + + + + + + + + Reference: PMID: 30550790 + + 0 + C53H75BrN8O8 + InChI=1S/C53H75BrN8O8/c1-31(2)24-40-50(66)59(10)35(9)53(69)70-46(18-15-23-55)49(65)58-42(26-33(5)6)52(68)60(11)44(27-34(7)8)47(63)57-41(25-32(3)4)51(67)61(12)45(48(64)56-40)28-37-30-62(43-17-14-13-16-39(37)43)29-36-19-21-38(54)22-20-36/h13-14,16-17,19-22,30-35,40-42,44-46H,15,18,24-29H2,1-12H3,(H,56,64)(H,57,63)(H,58,65) + YYGUUQZMWURKTR-UHFFFAOYSA-N + 1032.135 + 1030.48912 + BrC1=C(C(=C(C(N2C(=C(C(C3(N(C(=O)C(N(C(=O)C(N(C(=O)C(N(C(=O)C(OC(=O)C(N(C(=O)C(N(C3=O)[H])(C(C(C([H])([H])[H])(C([H])([H])[H])[H])([H])[H])[H])C([H])([H])[H])(C([H])([H])[H])[H])(C(C(C#N)([H])[H])([H])[H])[H])[H])(C(C(C([H])([H])[H])(C([H])([H])[H])[H])([H])[H])[H])C([H])([H])[H])(C(C(C([H])([H])[H])(C([H])([H])[H])[H])([H])[H])[H])[H])(C(C(C([H])([H])[H])(C([H])([H])[H])[H])([H])[H])[H])C([H])([H])[H])[H])([H])[H])C=4C2=C(C(=C(C4[H])[H])[H])[H])[H])([H])[H])C(=C1[H])[H])[H])[H] + ChemIDplus:146047984 + chebi_ontology + CHEBI:189655 + + PS3061 + + + + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 29116477 + + 0 + C18H12Cl2N4O4S + InChI=1S/C18H12Cl2N4O4S/c19-12-6-5-10(7-13(12)20)15-9-29-18(21-15)23-22-14(17(25)26)8-11-3-1-2-4-16(11)24(27)28/h1-7,9H,8H2,(H,21,23)(H,25,26) + KFRKRECSIYXARE-UHFFFAOYSA-N + 451.280 + 449.99563 + OC(=O)C(CC1=CC=CC=C1[N+]([O-])=O)=NNC1=NC(=CS1)C1=CC=C(Cl)C(Cl)=C1 + CAS:315706-13-9 + PMID:25049413 + Wikipedia:4EGI-1 + chebi_ontology + CHEBI:189658 + + 4EGI-1 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A triazolopyridine that is 3H-[1,2,3]triazolo[4,5-b]pyridine substituted by a 4-{(3-chloropyridin-2-yl)[(3R)-piperidin-3-yl]carbamoyl}phenyl group at position 3. It is a potent inhibitor of PCSK9. + Reference: PMID: 28323820 + + 0 + C22H20ClN7O + InChI=1S/C22H20ClN7O/c23-18-5-2-12-25-20(18)29(17-4-1-11-24-14-17)22(31)15-7-9-16(10-8-15)30-21-19(27-28-30)6-3-13-26-21/h2-3,5-10,12-13,17,24H,1,4,11,14H2/t17-/m1/s1 + FDTXHWQFIXYHCL-QGZVFWFLSA-N + 433.900 + 433.14179 + ClC1=CC=CN=C1N([C@@H]1CCCNC1)C(=O)C1=CC=C(C=C1)N1N=NC2=CC=CN=C12 + CAS:1632250-49-7 + Chemspider:74849329 + PDBeChem:MVM + PMID:28323820 + PMID:29878763 + PMID:31160784 + PMID:31867167 + PMID:33009412 + PMID:33801308 + PMID:34359627 + Patent:US9227956 + N-(3-chloropyridin-2-yl)-N-[(3R)-piperidin-3-yl]-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide + PF-06446846 + chebi_ontology + PF 06446846 + PF-846 + PF06446846 + CHEBI:189659 + + PF-06446846 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 29722158 + + 0 + C91H138N12O24 + InChI=1S/C91H138N12O24/c1-60-18-12-11-13-19-61(2)76(112-8)55-70-24-21-66(7)91(111,127-70)85(108)88(109)102-29-16-14-20-72(102)89(110)125-77(56-73(104)62(3)51-65(6)83(107)84(114-10)82(106)64(5)50-60)63(4)52-67-22-25-75(78(53-67)113-9)124-49-48-123-58-69-57-101(100-98-69)31-33-116-35-37-118-39-41-120-43-45-122-47-46-121-44-42-119-40-38-117-36-34-115-32-27-79(105)94-28-15-17-30-103-87-80(86(92)95-59-96-87)81(99-103)68-23-26-74-71(54-68)97-90(93)126-74/h11-13,18-19,23,26,51,54,57,59-60,62-64,66-67,70,72,75-78,83-84,107,111H,14-17,20-22,24-25,27-50,52-53,55-56,58H2,1-10H3,(H2,93,97)(H,94,105)(H2,92,95,96)/b13-11-,18-12-,61-19-,65-51-/t60-,62-,63-,64-,66-,67-,70+,72-,75?,76-,77+,78-,83+,84+,91-/m1/s1 + QDOGZMBPRITPMZ-PKZGRWOKSA-N + 1784.165 + 1782.99469 + O([C@@]1([C@](OC([H])([H])[H])(C([C@](C(C1([H])[H])([H])[H])(C([C@]([C@]2(OC(=O)[C@@]3(N(C(C(C(C3([H])[H])([H])[H])([H])[H])([H])[H])C(=O)C(=O)[C@@]4(O[C@@](C(C([C@]4(C([H])([H])[H])[H])([H])[H])([H])[H])(C([C@@](OC([H])([H])[H])(C(C([H])([H])[H])=C(C(=C(C(=C([C@](C([C@](C(=O)[C@](OC([H])([H])[H])([C@@](O[H])(C(=C([C@](C(=O)C2([H])[H])(C([H])([H])[H])[H])[H])C([H])([H])[H])[H])[H])(C([H])([H])[H])[H])([H])[H])(C([H])([H])[H])[H])[H])[H])[H])[H])[H])[H])([H])[H])[H])O[H])[H])[H])(C([H])([H])[H])[H])([H])[H])[H])([H])[H])[H])[H])C(C(OC(C=5N=NN(C5[H])C(C(OC(C(OC(C(OC(C(OC(C(OC(C(OC(C(OC(C(OC(C(C(=O)N(C(C(C(C(N6N=C(C=7C6=NC(=NC7N([H])[H])[H])C8=C(C=9N=C(OC9C(=C8[H])[H])N([H])[H])[H])([H])[H])([H])[H])([H])[H])([H])[H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H] + ChemIDplus:137076847 + chebi_ontology + CHEBI:189661 + + RapaLink-1 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A benzofuropyrimidine that is 3,4-dihydro[1]benzofuro[3,2-d]pyrimidine substituted by (2S)-pyrrolidin-2-yl, oxo and chloro groups at positions 2, 4, and 8, respectively. It is a potent ATP competitive inhibitor of Cdc7 kinase (IC50 = 3.4 nM) and exhibits anticancer properties. + Reference: PMID: 22560567 + + 0 + C14H12ClN3O2 + InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1 + JJWLXRKVUJDJKG-VIFPVBQESA-N + 289.720 + 289.06180 + [H][C@]1(CCCN1)C1=NC2=C(OC3=C2C=C(Cl)C=C3)C(=O)N1 + CAS:1169558-38-6 + Chemspider:28508270 + DrugBank:DB12357 + PDBeChem:0SX + PMID:22560567 + PMID:23064647 + PMID:25412417 + PMID:26589264 + PMID:28560864 + PMID:29713760 + PMID:30802412 + PMID:32355159 + PMID:32521228 + PMID:34307771 + Wikipedia:XL-413 + 8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one + chebi_ontology + BMS 863233 + BMS-863233 + BMS863233 + XL 413 + XL-413 + CHEBI:189662 + + XL413 + + + + + + + + + + + An organic heterotricyclic compound in which pyrmidine is ortho-fused to a bicyclic benzofuran ring. + + chebi_ontology + benzofuropyrimidines + CHEBI:189664 + + benzofuropyrimidine + + + + + + + + + An EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of kexin (EC 3.4.21.61). + + chebi_ontology + EC 3.4.21.61 (kexin) inhibitors + EC 3.4.21.61 inhibitor + EC 3.4.21.61 inhibitors + Kex 2p proteinase inhibitor + Kex 2p proteinase inhibitors + Kex2 endopeptidase inhibitor + Kex2 endopeptidase inhibitors + Kex2 endoprotease inhibitor + Kex2 endoprotease inhibitors + Kex2 endoproteinase inhibitor + Kex2 endoproteinase inhibitors + Kex2 protease inhibitor + Kex2 protease inhibitors + Kex2 proteinase inhibitor + Kex2 proteinase inhibitors + Kex2-like endoproteinase inhibitor + Kex2-like endoproteinase inhibitors + Kex2-like precursor protein processing endoprotease inhibitor + Kex2-like precursor protein processing endoprotease inhibitors + andrenorphin-Gly-generating enzyme inhibitor + andrenorphin-Gly-generating enzyme inhibitors + endoproteinase Kex2p inhibitor + endoproteinase Kex2p inhibitors + gene KEX2 dibasic proteinase inhibitor + gene KEX2 dibasic proteinase inhibitors + kexin inhibitor + kexin inhibitors + paired-basic endopeptidase inhibitor + paired-basic endopeptidase inhibitors + prohormone-processing KEX2 proteinase inhibitor + prohormone-processing KEX2 proteinase inhibitors + prohormone-processing endoprotease inhibitor + prohormone-processing endoprotease inhibitors + prohormone-processing proteinase inhibitor + prohormone-processing proteinase inhibitors + proprotein convertase inhibitor + proprotein convertase inhibitors + protease KEX2 inhibitor + protease KEX2 inhibitors + proteinase Kex2p inhibitor + proteinase Kex2p inhibitors + proteinase yscF inhibitor + proteinase yscF inhibitors + yeast KEX2 protease inhibitor + yeast KEX2 protease inhibitors + CHEBI:189665 + + EC 3.4.21.61 (kexin) inhibitor + + + + + + + + + + a group of substances that bind to a receptor to change that receptor's response to stimulus. + + chebi_ontology + CHEBI:189675 + + PAR2 negative allosteric modulator + + + + + + + + + An antagonist at the protease-activated receptor-2. + + PMID:10657317 + Wikipedia:Protease-activated_receptor_2 + chebi_ontology + G-protein coupled receptor 11 antagonist + G-protein coupled receptor 11 antagonists + GPR11 antagonist + GPR11 antagonists + PAR-2 antagonist + PAR-2 antagonists + PAR2 antagonist + PAR2 antagonists + coagulation factor II (thrombin) receptor-like 1 antagonist + coagulation factor II (thrombin) receptor-like 1 antagonists + protease-activated receptor 2 antagonist + protease-activated receptor 2 antagonists + protease-activated receptor-2 antagonists + CHEBI:189676 + + protease-activated receptor-2 antagonist + + + + + + + + + a group of substances that bind to a receptor to change that receptor's response to stimulus + + chebi_ontology + CHEBI:189678 + + modulator + + + + + + + + + A binding protein is any protein that acts as an agent to bind two or more molecules together. + + chebi_ontology + CHEBI:189680 + + protein binder + + + + + + + + + a protein complex that is active in mitochondria and functions as a riboprotein for translating mitochondrial mRNAs encoded in mtDNA + + Wikipedia:1056127308 + chebi_ontology + CHEBI:189681 + + mitochondrial ribosomes + + + + + + + + + The target that the mRNA translation initiates + + chebi_ontology + CHEBI:189682 + + Translation Initiation Targets + + + + + + + + + Any receptor modulator acting on sigma receptors. + + Wikipedia:Sigma_receptor + chebi_ontology + sigma receptor modulators + sigma-receptor modulator + sigma-receptor modulators + CHEBI:189683 + + sigma receptor modulator + + + + + + + + + A sigma receptor modulator that activates the sigma-2 receptor. + + Wikipedia:Sigma-2_receptor + chebi_ontology + sigma 2 receptor agonist + sigma 2 receptor agonists + sigma-2 receptor agonists + sigma2 receptor agonist + sigma2 receptor agonists + sigma2R agonist + sigma2R agonists + CHEBI:189684 + + sigma-2 receptor agonist + + + + + + + + + + + + + + + A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Met-enkephalin. Major species at pH 7.3. + + 0 + C27H35N5O7S + InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1 + YFGBQHOOROIVKG-FKBYEOEOSA-N + 573.670 + 573.22572 + CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])CC1=CC=C(O)C=C1)C([O-])=O + N-[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]glycylglycyl-N-[(1S)-1-carboxylato-3-(methylsulfanyl)propyl]-L-phenylalaninamide + chebi_ontology + L-Tyr-Gly-Gly-L-Phe-L-Met zwitterion + L-tyrosylglycylglycyl-L-phenylalanyl-L-methionine zwitterion + M-ENK zwitterion + MENK zwitterion + Met-enkephalin + Tyr-Gly-Gly-Phe-Met zwitterion + [Met(5)]-enkephalin zwitterion + [Met(5)]enkephalin zwitterion + metenkefalin zwitterion + CHEBI:189868 + + Met-enkephalin zwitterion + + + + @@ -36195,6 +41761,26 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + Any N-acylamino acid having L-configuration. + + chebi_ontology + CHEBI:21644 + + N-acyl-L-amino acid + + + + @@ -36446,6 +42032,21 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any aldehyde which contains an amino group. + + PMID:17105264 + chebi_ontology + CHEBI:22492 + + amino aldehyde + + + + @@ -36469,9 +42070,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + chebi_ontology aminoglycoside antibiotics CHEBI:22507 + aminoglycoside antibiotic @@ -36492,6 +42096,21 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + Any aromatic amine that is benzene carrying at least one amino substituent and its substituted derivatives. + + chebi_ontology + CHEBI:22562 + + anilines + + + + @@ -36568,6 +42187,37 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group. 0 @@ -36603,11 +42253,63 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + An L-alpha-amino acid which is L-aspartic acid or any of the essential amino acids biosynthesised from it (asparagine, lysine, methionine, threonine and isoleucine). A closed class. + + PMID:4386082 + PMID:4394351 + PMID:4721772 + PMID:5016260 + PMID:5074276 + chebi_ontology + aspartate family amino acids + aspartic acid family amino acid + aspartic acid family amino acids + oxaloacetate family amino acid + oxaloacetate family amino acids + oxaloacetate/aspartate family amino acid + oxaloacetate/aspartate family amino acids + CHEBI:22658 + + aspartate family amino acid + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent 0 @@ -36641,6 +42343,125 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + The most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus. + Reference: PMID: 9572882 + + 0 + C35H58O9 + InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1 + XDHNQDDQEHDUTM-JQWOJBOSSA-N + 622.82960 + 622.40808 + CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C + Beilstein:3640011 + Beilstein:4730699 + Beilstein:4730700 + CAS:88899-55-2 + PMID:10519916 + PMID:11533151 + PMID:17917797 + PMID:19067440 + PMID:19289106 + PMID:20820851 + PMID:22344969 + PMID:22943412 + PMID:23038011 + PMID:23480984 + PMID:24890793 + PMID:24977403 + PMID:25512644 + PMID:26156798 + PMID:26242265 + PMID:7817803 + PMID:8446034 + Reaxys:4730700 + (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-6-isopropyl-5-methyltetrahydro-2H-pyran-2-yl]-3-hydroxypentan-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one + chebi_ontology + CHEBI:22689 + + bafilomycin A1 + + + + @@ -36720,6 +42541,28 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + A group of heterocyclic compounds with a core structure containing a benzene ring fused to a diazepine ring. + + chebi_ontology + benzodiazepines + CHEBI:22720 + + benzodiazepine + + + + @@ -36843,6 +42686,40 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + Any amino acid-derived zwitterion - such as glycine betaine (N,N,N-trimethylammonioacetate) - in which the ammonium nitrogen carries methyl substituents and bears no hydrogen atoms. + + chebi_ontology + amino acid betaines + amino-acid betaines + betaines + CHEBI:22860 + + amino-acid betaine + + + + + + + + + + + Benzenoid aromatic compounds containing two phenyl or substituted-phenyl groups which are joined together by a single bond. + + chebi_ontology + CHEBI:22888 + + biphenyls + + + + @@ -37003,8 +42880,18 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + Any carbohydrate derivative that exhibits antibiotic activity. + + chebi_ontology CHEBI:23007 + carbohydrate-containing antibiotic @@ -37125,6 +43012,49 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + Any member of the class of benzoates in which the benzene ring is substituted by at least one chloro group. + + chebi_ontology + chlorobenzoates + CHEBI:23133 + + chlorobenzoate + + + + + + + + + + + + + + + + Any member of the class of benzoic acids in which the benzene ring is substituted by at least one chloro group. + + chebi_ontology + chlorobenzoic acids + CHEBI:23134 + + chlorobenzoic acid + + + + @@ -37224,6 +43154,19 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + chebi_ontology + CHEBI:23366 + + compatible osmolytes + + + + @@ -37653,6 +43596,23 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + 0 + C20H23N7O7 + 473.440 + 473.16590 + chebi_ontology + CHEBI:24099 + + formyltetrahydrofolic acid + + + + @@ -37737,6 +43697,73 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + An amino acid derivative resulting from reaction of glutamic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing glutamic acid residues. + + chebi_ontology + CHEBI:24315 + + glutamic acid derivative + + + + + + + + + + An L-alpha-amino acid which is L-glutamic acid or any of the essential amino acids biosynthesised from it (glutamine, proline and arginine). A closed class. + + PMID:20716061 + chebi_ontology + glutamine family amino acids + CHEBI:24318 + + glutamine family amino acid + + + + + + + + + An EC 6.3.* (C-N bond-forming ligase) inhibitor that interferes with the action of glutamate--ammonia ligase (EC 6.3.1.2). + + Wikipedia:Glutamine_synthetase + chebi_ontology + EC 6.3.1.2 (glutamate--ammonia ligase) inhibitors + EC 6.3.1.2 inhibitor + EC 6.3.1.2 inhibitors + L-glutamate:ammonia ligase (ADP-forming) inhibitor + L-glutamate:ammonia ligase (ADP-forming) inhibitors + L-glutamine synthetase inhibitor + L-glutamine synthetase inhibitors + glutamate--ammonia ligase (EC 6.3.1.2) inhibitor + glutamate--ammonia ligase (EC 6.3.1.2) inhibitors + glutamate--ammonia ligase inhibitor + glutamate--ammonia ligase inhibitors + glutamine synthetase inhibitor + glutamine synthetase inhibitors + glutamylhydroxamic synthetase inhibitor + glutamylhydroxamic synthetase inhibitors + CHEBI:24319 + + EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor + + + + @@ -38236,6 +44263,23 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + A member of the class of flavanones that consists of flavanone with one or more hydroxy substituents. + + hydroxyflavanone + chebi_ontology + hydroxyflavanones + CHEBI:24697 + + hydroxyflavanone + + + + @@ -38270,7 +44314,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p C(*)O hydroxymethyl chebi_ontology - -CH3-OH + -CH2-OH serine side-chain CHEBI:24712 @@ -38308,6 +44352,55 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + chebi_ontology + CHEBI:24789 + + indanones + + + + + + + + + + + + + + + An indol-3-yl carboxylic acid in which the carboxylic acid specified is acetic acid. + + chebi_ontology + CHEBI:24803 + + indole-3-acetic acids + + + + + + + + + Any indolyl carboxylic acid carrying an indol-3-yl or substituted indol-3-yl group. + + chebi_ontology + indol-3-yl carboxylic acids + CHEBI:24810 + + indol-3-yl carboxylic acid + + + + @@ -38601,10 +44694,47 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + chebi_ontology + CHEBI:24897 + + isoindoles + + + + - + + + + + + + + + + + + + + + + + + + + + + + + + A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration. 0 @@ -38845,6 +44975,37 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6. 0 @@ -39135,6 +45296,21 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An isoquinoline alkaloid based on a morphinan skeleton and its substituted derivatives. + + chebi_ontology + morphinane alkaloids + CHEBI:25418 + + morphinane alkaloid + + + + @@ -39256,6 +45432,22 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An endogenous compound that is used to transmit information across the synapse between a neuron and another cell. + + Wikipedia:Neurotransmitter + chebi_ontology + neurotransmitters + CHEBI:25512 + + neurotransmitter + + + + @@ -39416,6 +45608,25 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A peptide containing a relatively small number of amino acids. + + CHEBI:7755 + Wikipedia:Oligopeptide + oligopeptides + chebi_ontology + Oligopeptid + oligopeptido + CHEBI:25676 + + oligopeptide + + + + @@ -39526,6 +45737,21 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A solute used by a cell under water stress to maintain cell volume. + + chebi_ontology + osmolytes + CHEBI:25728 + + osmolyte + + + + @@ -39543,6 +45769,35 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + Compounds of structure R2C=NOH derived from condensation of aldehydes or ketones with hydroxylamine. Oximes from aldehydes may be called aldoximes; those from ketones may be called ketoximes. + + 0 + CHNOR2 + 43.02470 + 43.00581 + O\N=C(\[*])[*] + oxime + oximes + chebi_ontology + oximes + CHEBI:25750 + + oxime + + + + @@ -39679,6 +45934,21 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A hydroxyflavone substituted by five hydroxy groups. + + chebi_ontology + pentahydroxyflavones + CHEBI:25883 + + pentahydroxyflavone + + + + @@ -39922,6 +46192,21 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + chebi_ontology + piperidine alkaloids + CHEBI:26147 + + piperidine alkaloid + + + + @@ -40081,6 +46366,30 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. 0 @@ -40116,6 +46425,27 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + An amino acid derivative resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of proline by a heteroatom. The definition normally excludes peptides containing proline residues. + + chebi_ontology + proline derivatives + CHEBI:26273 + + proline derivative + + + + @@ -40143,6 +46473,34 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + chebi_ontology + CHEBI:26373 + + pteridines + + + + + + + + + + chebi_ontology + CHEBI:26375 + + pterins + + + + @@ -40189,6 +46547,20 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + chebi_ontology + CHEBI:26407 + + pyrans + + + + @@ -40252,6 +46624,26 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + A nitrogen molecular entity that is electronically neutral but which contains a quaternary nitrogen. + + chebi_ontology + CHEBI:26469 + + quaternary nitrogen compound + + + + @@ -40728,6 +47120,27 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + chebi_ontology + sulfur-containing amino acids + CHEBI:26834 + + sulfur-containing amino acid + + + + @@ -40811,6 +47224,29 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + A group of heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid units. + + chebi_ontology + tetrahydrofolate + tetrahydrofolates + tetrahydrofolic acids + CHEBI:26907 + + tetrahydrofolic acid + + + + @@ -40864,6 +47300,31 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group. 0 @@ -41164,6 +47625,23 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine. + + chebi_ontology + wasserloesliche Vitamine + water-soluble vitamin + water-soluble vitamins + CHEBI:27314 + + water-soluble vitamin (role) + + + + @@ -41408,12 +47886,30 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. 0 @@ -41605,6 +48101,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -41636,9 +48138,9 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p C15H23NO4 InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1 YPHMISFOHDHNIV-FSZOTQKASA-N - 281.34740 + 281.352 281.16271 - C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 + [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 CHEBI:23484 CHEBI:4015 Beilstein:88868 @@ -41649,6 +48151,15 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p LINCS:LSM-2791 PDBeChem:3HE PMID:11972861 + PMID:16659174 + PMID:25209664 + PMID:26715760 + PMID:27192630 + PMID:27665925 + PMID:30154175 + PMID:30916348 + PMID:32299921 + PMID:33101237 PPDB:1680 Reaxys:88868 Wikipedia:Cycloheximide @@ -41701,6 +48212,37 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. 0 @@ -42083,6 +48625,159 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea. + + 0 + C15H12O4 + InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1 + URFCJEUYXNAHFI-ZDUSSCGKSA-N + 256.25340 + 256.07356 + Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1 + CHEBI:26139 + CHEBI:69684 + CHEBI:75100 + CHEBI:8221 + CAS:480-39-7 + HMDB:HMDB0030808 + KEGG:C09827 + KNApSAcK:C00000992 + LINCS:LSM-4126 + LIPID_MAPS_instance:LMPK12140214 + MetaCyc:CPD-6991 + PMID:21973101 + PMID:22050318 + PMID:23179089 + PMID:23212747 + PMID:23594163 + PMID:23611777 + PMID:23669639 + PMID:23697399 + PMID:23725831 + PMID:23725838 + PMID:23847074 + Reaxys:88951 + Wikipedia:Pinocembrin + (2S)-5,7-dihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one + chebi_ontology + (2S)-pinocembrin + (S)-2,3-Dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one + (S)-5,7-dihydroxyflavanone + (S)-pinocembrin + 5,7-Dihydroxyflavanone + Dihydrochrysin + Galangin flavanone + CHEBI:28157 + + pinocembrin + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of asparagine having D-configuration. + + 0 + C4H8N2O3 + InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1 + DCXYFEDJOCDNAF-UWTATZPHSA-N + 132.119 + 132.05349 + OC([C@@H](CC(N)=O)N)=O + CHEBI:20918 + CHEBI:4107 + Beilstein:1723526 + CAS:2058-58-4 + DrugBank:DB03943 + Gmelin:101784 + HMDB:HMDB0033780 + KEGG:C01905 + MetaCyc:CPD-3633 + PDBeChem:DSG + PMID:767332 + Patent:CN101333175 + Reaxys:1723526 + YMDB:YMDB00849 + D-Asparagine + D-asparagine + chebi_ontology + (2R)-2,4-diamino-4-oxobutanoic acid + (2R)-2-amino-3-carbamoylpropanoic acid + (R)-2-amino-3-carbamoylpropanoic acid + D-2-aminosuccinamic acid + D-Asparagin + D-aspartic acid beta-amide + DSG + CHEBI:28159 + + D-asparagine + + + + @@ -42212,6 +48907,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -42293,12 +48994,14 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p PMID:19096138 PMID:19382398 PMID:19443933 + PMID:20828537 PMID:21426213 PMID:22030943 PMID:22722716 PMID:22768202 PMID:22814967 PMID:23050031 + PMID:23313473 PMID:28220525 PMID:29938311 PMID:31489176 @@ -42343,6 +49046,30 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4. 0 @@ -42379,6 +49106,83 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of tyrosine having D-configuration. + + 0 + C9H11NO3 + InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1 + OUYCCCASQSFEME-MRVPVSSYSA-N + 181.18858 + 181.07389 + N[C@H](Cc1ccc(O)cc1)C(O)=O + CHEBI:21111 + CHEBI:42299 + CHEBI:4258 + Beilstein:2212157 + CAS:556-02-5 + DrugBank:DB03839 + ECMDB:ECMDB21520 + Gmelin:603524 + KEGG:C06420 + MetaCyc:D-TYROSINE + PDBeChem:DTY + PMID:15292242 + PMID:23381872 + PMID:24936396 + Reaxys:2212157 + YMDB:YMDB00805 + D-TYROSINE + D-Tyrosine + D-tyrosine + chebi_ontology + (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid + (R)-2-Amino-3-(p-hydroxyphenyl)propionic acid + (R)-3-(p-Hydroxyphenyl)alanine + D-Tyr + D-Tyrosin + DTY + CHEBI:28479 + + D-tyrosine + + + + @@ -42748,6 +49552,65 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + Any hydroxyflavone in which is the ring hydrogen at position 3 of the heterocyclic ring is replaced by a hydroxy group. + + 0 + C15HO3R9 + 229.16660 + 228.99257 + Oc1c(oc2c([*])c([*])c([*])c([*])c2c1=O)-c1c([*])c([*])c([*])c([*])c1[*] + CHEBI:13639 + CHEBI:24052 + CHEBI:71969 + MetaCyc:Flavonols + Wikipedia:Flavonol + chebi_ontology + 3-hydroxyflavones + a flavonol + CHEBI:28802 + + flavonols + + + + + + + + + + Members of the class of flavans with a 3,4-dihydro-2-aryl-2H-1-benzopyran-4-one skeleton and its substituted derivatives. + + 0 + C15H2O2R10 + 214.176 + 214.00548 + O1C2=C(C(C(C1C3=C(C(=C(C(=C3*)*)*)*)*)*)=O)C(=C(C(=C2*)*)*)* + CHEBI:13636 + CHEBI:24038 + CHEBI:24054 + MetaCyc:FLAVANONES + Wikipedia:Flavanone + chebi_ontology + 2,3-dihydroflavones + a flavanone + CHEBI:28863 + + flavanones + + + + @@ -42987,6 +49850,35 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid. + + -2 + C2O4R + 88.019 + 87.97966 + [O-]C(=O)[*]C([O-])=O + CHEBI:13632 + CHEBI:23688 + CHEBI:23689 + CHEBI:38711 + dicarboxylic acid dianion + chebi_ontology + a dicarboxylate + dicarboxylate + dicarboxylates + dicarboxylic acid dianions + CHEBI:28965 + + dicarboxylic acid dianion + + + + @@ -43041,6 +49933,30 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. 0 @@ -43106,6 +50022,98 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + 0 + C17H23NO + InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1 + JAQUASYNZVUNQP-PVAVHDDUSA-N + 257.37066 + 257.17796 + [H][C@]12CCCC[C@]11CCN(C)[C@H]2Cc2ccc(O)cc12 + Beilstein:88093 + CAS:125-73-5 + LINCS:LSM-36603 + 17-methyl-9alpha,13alpha,14alpha-morphinan-3-ol + chebi_ontology + (+)-3-hydroxy-N-methylmorphinan + d-3-hydroxy-N-methylmorphinan + dextrorphan + dextrorphane + dextrorphanum + CHEBI:29133 + + dextrorphan + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness. + + 0 + C19H19ClN2 + InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2 + JAUOIFJMECXRGI-UHFFFAOYSA-N + 310.82100 + 310.12368 + Clc1ccc2c(CCc3cccnc3C2=C2CCNCC2)c1 + Beilstein:4263164 + CAS:100643-71-8 + DrugBank:DB00967 + Drug_Central:814 + KEGG:D03693 + LINCS:LSM-5887 + PMID:11844681 + PMID:15482930 + PMID:9934454 + Patent:EP208855 + Patent:US4659716 + Wikipedia:Desloratadine + 8-chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine + DESLORATADINE + chebi_ontology + 8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine + 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine + descarboethoxyloratadine + desloratadine + CHEBI:291342 + + desloratadine + + + + @@ -43313,7 +50321,6 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p - @@ -43551,10 +50558,17 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + 18631 A macrolide antibiotic that has formula C38H72N2O12. A macrolide antibiotic useful for the treatment of bacterial infections. PMID: 32533455 + Reference: PMID: 24794904 https://www.drugbank.ca/drugs/DB00207 @@ -43708,6 +50722,27 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + 0 + NO2 + 46.00550 + 45.99290 + *[N+](=O)[O-] + nitro + chebi_ontology + -NO2 + CHEBI:29785 + + nitro group + + + + @@ -43736,6 +50771,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -43754,6 +50795,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -43796,6 +50843,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -43820,9 +50873,9 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p C15H10O5 InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H FXNFHKRTJBSTCS-UHFFFAOYSA-N - 270.23690 + 270.240 270.05282 - Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 + OC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1 Beilstein:272683 CAS:491-67-8 Chemspider:4444924 @@ -43838,8 +50891,10 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p PMID:10724177 PMID:11513834 PMID:15853750 + PMID:22114686 PMID:22891631 PMID:23098745 + PMID:23339711 PMID:26268338 PMID:28166217 PMID:31976018 @@ -43863,8 +50918,13 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p PMID:33880917 PMID:33921971 PMID:33939310 + PMID:33996574 PMID:34008261 PMID:34015760 + PMID:34038512 + PMID:34044073 + PMID:34060266 + PMID:34072443 PMID:59001 Patent:CN102429899 Reaxys:272683 @@ -43972,18 +51032,66 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -43996,6 +51104,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -44008,16 +51122,16 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p - The glycosyloxyflavone which is the 7-O-glucuronide of baicalein. + The glycosyloxyflavone which is the 7-O-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine Scutellaria baicalensis. PMID: 15288617 0 C21H18O11 InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 IKIIZLYTISPENI-ZFORQUDYSA-N - 446.36100 + 446.364 446.08491 - O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 + O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(=O)C=C(O3)C3=CC=CC=C3)C(O)=C2O)O[C@@H]([C@H]1O)C(O)=O Beilstein:70480 CAS:21967-41-9 Drug_Central:4055 @@ -44026,13 +51140,39 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p KNApSAcK:C00001024 LIPID_MAPS_instance:LMPK12111081 MetaCyc:CPD-12725 + PDBeChem:0XE + PMCID:PMC8165801 PMID:10724177 PMID:18650094 PMID:21087019 PMID:22467027 + PMID:23142347 PMID:23302221 PMID:23354080 PMID:23523628 + PMID:25847243 + PMID:32707128 + PMID:32795339 + PMID:33008383 + PMID:33224035 + PMID:33269624 + PMID:33352232 + PMID:33493657 + PMID:33595821 + PMID:33652818 + PMID:33732310 + PMID:33781030 + PMID:33801847 + PMID:33815110 + PMID:33891262 + PMID:33921971 + PMID:33923637 + PMID:33935719 + PMID:33955315 + PMID:33992597 + PMID:34029124 + PMID:34044073 + PMID:34053448 Patent:CN102584918 Patent:WO2012119458 Reaxys:70480 @@ -44043,7 +51183,8 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p 5,6,7-trihydroxyflavone 7-O-beta-D-glucuronide 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid 7-D-glucuronic acid-5,6-dihydroxyflavone - Baicalein 7-O-glucuronide + baicalein 7-O-glucuronide + baicalein 7-glucuronide CHEBI:2981 baicalin @@ -44171,6 +51312,507 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + 0 + C6H12N2O + 128.17236 + 128.09496 + C([C@@H](C(*)=O)N*)CCCN + RESID:AA0012 + L-lysine residue + chebi_ontology + -Lys- + K + L-lysine + L-lysine base residue + L-lysyl + Lys + CHEBI:29967 + + L-lysine residue + + + + + + + + + + + + + + + + + + + + + + + + + + + + 0 + C6H12N2O + 128.17236 + 128.09496 + C([C@H](C(*)=O)N*)CCCN + D-lysine residue + chebi_ontology + -D-Lys- + D-Lys + D-lysine base residue + DLys + CHEBI:29968 + + D-lysine residue + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +1 + C6H13N2O + 129.180 + 129.10279 + C([C@@H](C(*)=O)N*)CCC[NH3+] + L-lysinium residue + chebi_ontology + L-lysine residue + LysH(+) + CHEBI:29969 + + L-lysinium residue + + + + + + + + + + + + + + + + + + + + + + + + + + + + +1 + C6H13N2O + 129.18030 + 129.10279 + C([C@H](C(*)=O)N*)CCC[NH3+] + D-lysinium residue + chebi_ontology + D-LysH(+) + CHEBI:29970 + + D-lysinium residue + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An alpha-amino-acid anion that is the conjugate base of L-glutamic acid, having anionic carboxy groups and a cationic amino group + + -1 + C5H8NO4 + InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1 + WHUUTDBJXJRKMK-VKHMYHEASA-M + 146.12136 + 146.04588 + [NH3+][C@@H](CCC([O-])=O)C([O-])=O + CHEBI:13107 + CHEBI:21301 + CAS:11070-68-1 + Gmelin:936654 + MetaCyc:GLT + L-glutamate(1-) + hydrogen L-glutamate + chebi_ontology + (2S)-2-ammoniopentanedioate + L-glutamate + L-glutamic acid monoanion + L-glutamic acid, ion(1-) + CHEBI:29985 + + L-glutamate(1-) + + + + + + + + + + + + + + + + + + + + + + + + + + + An alpha-amino-acid anion that is the conjugate base of D-glutamic acid, having anionic carboxy groups and a cationic amino group + + -1 + C5H8NO4 + InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m1/s1 + WHUUTDBJXJRKMK-GSVOUGTGSA-M + 146.12136 + 146.04588 + [NH3+][C@H](CCC([O-])=O)C([O-])=O + CHEBI:12979 + CHEBI:21022 + Beilstein:8319427 + MetaCyc:D-GLT + D-glutamate(1-) + hydrogen D-glutamate + chebi_ontology + (2R)-2-ammoniopentanedioate + D-glutamate + D-glutamic acid monoanion + CHEBI:29986 + + D-glutamate(1-) + + + + + + + + + + + + + + + + + + + + + A dicarboxylic acid dianion that is the conjugate base of glutamate(1-). + + -2 + C5H7NO4 + InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2 + WHUUTDBJXJRKMK-UHFFFAOYSA-L + 145.11342 + 145.03860 + NC(CCC([O-])=O)C([O-])=O + Beilstein:4134100 + Gmelin:327903 + Reaxys:4134100 + 2-aminopentanedioate + glutamate + glutamate(2-) + chebi_ontology + glutamic acid dianion + CHEBI:29987 + + glutamate(2-) + + + + + + + + + + + + + + + + + + + + + + An L-alpha-amino acid anion that is the dianion obtained by the deprotonation of the both the carboxy groups of L-glutamic acid. + + -2 + C5H7NO4 + InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2/t3-/m0/s1 + WHUUTDBJXJRKMK-VKHMYHEASA-L + 145.11342 + 145.03860 + N[C@@H](CCC([O-])=O)C([O-])=O + Gmelin:327905 + (2S)-2-aminopentanedioate + L-glutamate + L-glutamate(2-) + chebi_ontology + L-glutamic acid dianion + CHEBI:29988 + + L-glutamate(2-) + + + + + + + + + + + + + + + + + + + + + + -2 + C5H7NO4 + InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2/t3-/m1/s1 + WHUUTDBJXJRKMK-GSVOUGTGSA-L + 145.11342 + 145.03860 + N[C@H](CCC([O-])=O)C([O-])=O + Beilstein:8143000 + Gmelin:327904 + (2R)-2-aminopentanedioate + D-glutamate + D-glutamate(2-) + chebi_ontology + D-glutamic acid dianion + CHEBI:29989 + + D-glutamate(2-) + + + + + + + + + + + + + + + + + + + + + + A C4-dicarboxylate that is the dianion obtained by the deprotonation of both the carboxy groups of aspartic acid. + + -2 + C4H5NO4 + InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2 + CKLJMWTZIZZHCS-UHFFFAOYSA-L + 131.08684 + 131.02295 + NC(CC([O-])=O)C([O-])=O + 2-aminobutanedioate + aspartate + aspartate(2-) + chebi_ontology + 2-aminosuccinate + aspartic acid dianion + CHEBI:29995 + + aspartate(2-) + + + + + + + + + + + + + + + + + + + + + + + + + + + A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid. + + -1 + C2H3O2 + InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 + QTBSBXVTEAMEQO-UHFFFAOYSA-M + 59.04402 + 59.01385 + CC([O-])=O + CHEBI:13704 + CHEBI:22165 + CHEBI:40480 + Beilstein:1901470 + CAS:71-50-1 + DrugBank:DB03166 + Gmelin:1379 + KEGG:C00033 + MetaCyc:ACET + PDBeChem:ACT + PMID:17190852 + PMID:22211106 + PMID:22371380 + Reaxys:1901470 + UM-BBD_compID:c0050 + Wikipedia:Acetate + acetate + chebi_ontology + ACETATE ION + Azetat + CH3-COO(-) + Ethanoat + MeCO2 anion + acetic acid, ion(1-) + ethanoate + CHEBI:30089 + + acetate + + + + @@ -44744,6 +52386,117 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects. + + 0 + CH2O2 + InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3) + BDAGIHXWWSANSR-UHFFFAOYSA-N + 46.02538 + 46.00548 + [H]C(O)=O + CHEBI:24082 + CHEBI:42460 + CHEBI:5145 + BPDB:1749 + Beilstein:1209246 + CAS:64-18-6 + DrugBank:DB01942 + Gmelin:1008 + HMDB:HMDB0000142 + KEGG:C00058 + KNApSAcK:C00001182 + LIPID_MAPS_instance:LMFA01010040 + MetaCyc:FORMATE + PDBeChem:FMT + PMID:12591956 + PMID:14637377 + PMID:15811469 + PMID:16120414 + PMID:16185830 + PMID:16222862 + PMID:16230297 + PMID:16445901 + PMID:16465784 + PMID:18034701 + PMID:18397576 + PMID:22080171 + PMID:22280475 + PMID:22304812 + PMID:22385261 + PMID:22447125 + PMID:22483350 + PMID:22499553 + PMID:22540994 + PMID:22606986 + PMID:22622393 + PMID:3946945 + PMID:7361809 + Patent:CN101481304 + Reaxys:1209246 + Wikipedia:Formic_acid + FORMIC ACID + Formic acid + formic acid + chebi_ontology + Acide formique + Ameisensaeure + H-COOH + HCO2H + HCOOH + Methanoic acid + aminic acid + bilorin + formylic acid + hydrogen carboxylic acid + methoic acid + CHEBI:30751 + + formic acid + + + + @@ -44860,6 +52613,187 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group. + + 0 + C4H8O2 + InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) + FERIUCNNQQJTOY-UHFFFAOYSA-N + 88.10510 + 88.05243 + CCCC(O)=O + CHEBI:113450 + CHEBI:22948 + CHEBI:3234 + CHEBI:41208 + Beilstein:906770 + CAS:107-92-6 + DrugBank:DB03568 + Gmelin:26242 + HMDB:HMDB0000039 + KEGG:C00246 + KNApSAcK:C00001180 + LIPID_MAPS_instance:LMFA01010004 + MetaCyc:BUTYRIC_ACID + PDBeChem:BUA + PMID:10736622 + PMID:10956204 + PMID:11201044 + PMID:11208715 + PMID:11238216 + PMID:11305323 + PMID:12068484 + PMID:13678314 + PMID:14962641 + PMID:1542095 + PMID:15809727 + PMID:15810631 + PMID:15938880 + PMID:19318247 + PMID:19366864 + PMID:19703412 + PMID:21699495 + PMID:22038864 + PMID:22194341 + PMID:22322557 + PMID:22339023 + PMID:22466881 + Reaxys:906770 + Wikipedia:Butyric_acid + Butyric acid + butanoic acid + butyric acid + chebi_ontology + 1-butanoic acid + 1-butyric acid + 1-propanecarboxylic acid + 4:0 + BUTANOIC ACID + Butanoate + Butanoic acid + Buttersaeure + C4:0 + CH3-[CH2]2-COOH + acide butanoique + acide butyrique + butanic acid + butoic acid + ethylacetic acid + n-butanoic acid + n-butyric acid + propanecarboxylic acid + propylformic acid + CHEBI:30772 + + butyric acid + + + + + + + + + + + + + + + + + + + + + + + + + + + + A C6, straight-chain saturated fatty acid. + + 0 + C6H12O2 + InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) + FUZZWVXGSFPDMH-UHFFFAOYSA-N + 116.15830 + 116.08373 + CCCCCC(O)=O + CHEBI:24571 + CHEBI:40213 + CHEBI:5702 + Beilstein:773837 + CAS:142-62-1 + ECMDB:ECMDB21229 + Gmelin:185066 + HMDB:HMDB0000535 + KEGG:C01585 + KNApSAcK:C00001218 + LIPID_MAPS_instance:LMFA01010006 + MetaCyc:HEXANOATE + PDBeChem:6NA + PMID:10685018 + PMID:1556177 + PMID:24357269 + PMID:24924750 + Reaxys:773837 + Wikipedia:Hexanoic_acid + YMDB:YMDB01424 + HEXANOIC ACID + Hexanoic acid + hexanoic acid + chebi_ontology + 1-hexanoic acid + 1-pentanecarboxylic acid + 6:0 + C6:0 + CH3-[CH2]4-COOH + Hexanoate + Hexylic acid + Pentanecarboxylic acid + butylacetic acid + caproic acid + capronic acid + hexoic acid + n-Caproic acid + n-hexanoic acid + n-hexoic acid + n-hexylic acid + pentiformic acid + pentylformic acid + CHEBI:30776 + + hexanoic acid + + + + @@ -44949,6 +52883,83 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + 0 + C2H7N5 + InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7) + XNCOSPRUTUOJCJ-UHFFFAOYSA-N + 101.11068 + 101.07015 + NC(=N)NC(N)=N + Beilstein:507183 + CAS:56-03-1 + Gmelin:240093 + KEGG:C07672 + 1,2,3-triimidodicarbonic diamide + Biguanide + biguanide + chebi_ontology + H2N-C(=NH)-NH-C(=NH)-NH2 + Hbig + imidodicarbonimidic diamide + CHEBI:3095 + + biguanide + + + + + + + + + + + + + + + + + + + + + + A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals. + + -1 + C5H9O2 + InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1 + NQPDZGIKBAWPEJ-UHFFFAOYSA-M + 101.12376 + 101.06080 + CCCCC([O-])=O + CHEBI:14751 + CHEBI:25890 + Beilstein:3903735 + CAS:10023-74-2 + Gmelin:325619 + PMID:17314444 + PMID:18783570 + Reaxys:3903735 + pentanoate + chebi_ontology + CH3-[CH2]3-COO(-) + n-propylacetate + pentanoate + pentanoic acid, ion(1-) + CHEBI:31011 + + valerate + + + + @@ -45564,260 +53575,1565 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p - + - - - + + - + + + + + + + + An alpha-amino-acid anion that is the conjugate base of alanine, arising from deprotonation of the carboxy group. + + -1 + C3H6NO2 + InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1 + QNAYBMKLOCPYGJ-UHFFFAOYSA-M + 88.08528 + 88.04040 + CC(N)C([O-])=O + Beilstein:3903719 + Gmelin:101040 + 2-aminopropanoate + alaninate + chebi_ontology + alanine anion + CHEBI:32439 + + alaninate + + + + + + + + - + + + + + + + + An alpha-amino-acid cation that is the conjugate acid of alanine. + + +1 + C3H8NO2 + InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p+1 + QNAYBMKLOCPYGJ-UHFFFAOYSA-O + 90.10116 + 90.05495 + CC([NH3+])C(O)=O + Gmelin:362663 + 1-carboxyethanaminium + alaninium + chebi_ontology + alanine cation + CHEBI:32440 + + alaninium + + + + + + + + + - + + + + + + + - + + + + + + + - + - An optically active form of phenylalaninate having L-configuration. + The L-enantiomer of cysteinate(1-). -1 - C9H10NO2 - InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1/t8-/m0/s1 - COLNVLDHVKWLRT-QMMMGPOBSA-M - 164.18120 - 164.07170 - N[C@@H](Cc1ccccc1)C([O-])=O - Beilstein:4136718 - Gmelin:329084 - PMID:21956539 - Reaxys:4136718 - L-phenylalaninate + C3H6NO2S + InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m0/s1 + XUJNEKJLAYXESH-REOHCLBHSA-M + 120.15128 + 120.01247 + N[C@@H](CS)C([O-])=O + Beilstein:4128886 + Gmelin:325857 + Reaxys:4128886 + L-cysteinate(1-) + hydrogen L-cysteinate chebi_ontology - (2S)-2-amino-3-phenylpropanoate - L-phenylalanine anion - CHEBI:32486 + (2R)-2-amino-3-mercaptopropanoate + (2R)-2-amino-3-sulfanylpropanoate + L-cysteine anion + L-cysteine monoanion + CHEBI:32442 - L-phenylalaninate + L-cysteinate(1-) - + - - + + - + - - + + + + + + + + + The L-enantiomer of cysteinate(2-). + + -2 + C3H5NO2S + InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m0/s1 + XUJNEKJLAYXESH-REOHCLBHSA-L + 119.14334 + 119.00520 + N[C@@H](C[S-])C([O-])=O + Beilstein:5921923 + Gmelin:325856 + Reaxys:5921923 + L-cysteinate + L-cysteinate(2-) + chebi_ontology + (2R)-2-amino-3-sulfidopropanoate + L-cysteine dianion + CHEBI:32443 + + L-cysteinate(2-) + + + + + + + + - + - + + + + + + + - + - An optically active form of phenylalaninium having L-configuration. + The L-enantiomer of cysteinium. +1 - C9H12NO2 - InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1/t8-/m0/s1 - COLNVLDHVKWLRT-QMMMGPOBSA-O - 166.19710 - 166.08626 - [NH3+][C@@H](Cc1ccccc1)C(O)=O - PMID:21956539 - L-phenylalaninium + C3H8NO2S + InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m0/s1 + XUJNEKJLAYXESH-REOHCLBHSA-O + 122.16716 + 122.02703 + [NH3+][C@@H](CS)C(O)=O + Gmelin:325860 + L-cysteinium chebi_ontology - (1S)-1-carboxy-2-phenylethanaminium - L-phenylalanine cation - CHEBI:32487 + (1R)-1-carboxy-2-mercaptoethanaminium + (1R)-1-carboxy-2-sulfanylethanaminium + L-cysteine cation + L-cysteinium(1+) + CHEBI:32445 - L-phenylalaninium + L-cysteinium - + - - + + + + + + + + + + + + + + - + + + + + + + - + - The D-enantiomer of phenylalaninate. + The D-enantiomer of cysteinate(1-). -1 - C9H10NO2 - InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1/t8-/m1/s1 - COLNVLDHVKWLRT-MRVPVSSYSA-M - 164.18120 - 164.07170 - N[C@H](Cc1ccccc1)C([O-])=O - Beilstein:5740552 - Gmelin:746993 - D-phenylalaninate + C3H6NO2S + InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m1/s1 + XUJNEKJLAYXESH-UWTATZPHSA-M + 120.15128 + 120.01247 + N[C@H](CS)C([O-])=O + Gmelin:1006156 + D-cysteinate(1-) + hydrogen D-cysteinate chebi_ontology - (2R)-2-amino-3-phenylpropanoate - D-phenylalanine anion - CHEBI:32494 + (2S)-2-amino-3-mercaptopropanoate + (2S)-2-amino-3-sulfanylpropanoate + D-cysteine monoanion + CHEBI:32449 - D-phenylalaninate + D-cysteinate(1-) - + - - + + + + + + + + + + + + + + + + + + + + + The D-enantiomer of cysteinate(2-). + + -2 + C3H5NO2S + InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m1/s1 + XUJNEKJLAYXESH-UWTATZPHSA-L + 119.14334 + 119.00520 + N[C@H](C[S-])C([O-])=O + Gmelin:1342792 + D-cysteinate + D-cysteinate(2-) + chebi_ontology + (2S)-2-amino-3-sulfidopropanoate + D-cysteine dianion + CHEBI:32450 + + D-cysteinate(2-) + + + + + + + + + + + + + + - + + + + + + + - + - An optically active form of phenylalaninium having D-configuration. + The D-enantiomer of cysteinium. +1 - C9H12NO2 - InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1/t8-/m1/s1 - COLNVLDHVKWLRT-MRVPVSSYSA-O - 166.19710 - 166.08626 - [NH3+][C@H](Cc1ccccc1)C(O)=O - D-phenylalaninium + C3H8NO2S + InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m1/s1 + XUJNEKJLAYXESH-UWTATZPHSA-O + 122.16716 + 122.02703 + [NH3+][C@H](CS)C(O)=O + Gmelin:363237 + D-cysteinium chebi_ontology - (1R)-1-carboxy-2-phenylethanaminium - D-phenylalanine cation - CHEBI:32495 + (1S)-1-carboxy-2-mercaptoethanaminium + (1S)-1-carboxy-2-sulfanylethanaminium + D-cysteine cation + CHEBI:32451 - D-phenylalaninium + D-cysteinium - + - + - + + + + + + + - + - An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group. + + + + + + + A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group. -1 - C9H10NO2 - InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1 - COLNVLDHVKWLRT-UHFFFAOYSA-M - 164.18120 - 164.07170 - NC(Cc1ccccc1)C([O-])=O - Gmelin:329083 - phenylalaninate + C3H6NO2S + InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1 + XUJNEKJLAYXESH-UHFFFAOYSA-M + 120.15128 + 120.01247 + NC(CS)C([O-])=O + Beilstein:4128885 + Gmelin:363235 + Reaxys:4128885 + cysteinate(1-) + hydrogen cysteinate chebi_ontology - 2-amino-3-phenylpropanoate - phenylalanine anion - CHEBI:32504 + 2-amino-3-mercaptopropanoate + 2-amino-3-sulfanylpropanoate + cys(-) + cysteine monoanion + CHEBI:32456 - phenylalaninate + cysteinate(1-) - + - + + + + + + + + + + -2 + C3H5NO2S + InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2 + XUJNEKJLAYXESH-UHFFFAOYSA-L + 119.14334 + 119.00520 + NC(C[S-])C([O-])=O + Gmelin:49990 + cysteinate + cysteinate(2-) + chebi_ontology + 2-amino-3-sulfidopropanoate + cysteine dianion + CHEBI:32457 + + cysteinate(2-) + + + + + + + - + + + + + + + - An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group. +1 - C9H12NO2 - InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1 - COLNVLDHVKWLRT-UHFFFAOYSA-O - 166.19710 - 166.08626 - [NH3+]C(Cc1ccccc1)C(O)=O - phenylalaninium + C3H8NO2S + InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1 + XUJNEKJLAYXESH-UHFFFAOYSA-O + 122.16716 + 122.02703 + [NH3+]C(CS)C(O)=O + Gmelin:325859 + 1-carboxy-2-sulfanylethanaminium + cysteinium chebi_ontology - 1-carboxy-2-phenylethanaminium - phenylalanine cation - CHEBI:32505 + 1-carboxy-2-mercaptoethanaminium + H2cys(+) + cysteine cation + CHEBI:32458 - phenylalaninium + cysteinium - + - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of phenylalaninate having L-configuration. + + -1 + C9H10NO2 + InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1/t8-/m0/s1 + COLNVLDHVKWLRT-QMMMGPOBSA-M + 164.18120 + 164.07170 + N[C@@H](Cc1ccccc1)C([O-])=O + Beilstein:4136718 + Gmelin:329084 + PMID:21956539 + Reaxys:4136718 + L-phenylalaninate + chebi_ontology + (2S)-2-amino-3-phenylpropanoate + L-phenylalanine anion + CHEBI:32486 + + L-phenylalaninate + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of phenylalaninium having L-configuration. + + +1 + C9H12NO2 + InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1/t8-/m0/s1 + COLNVLDHVKWLRT-QMMMGPOBSA-O + 166.19710 + 166.08626 + [NH3+][C@@H](Cc1ccccc1)C(O)=O + PMID:21956539 + L-phenylalaninium + chebi_ontology + (1S)-1-carboxy-2-phenylethanaminium + L-phenylalanine cation + CHEBI:32487 + + L-phenylalaninium + + + + + + + + + + + + + + + + + + + + + The D-enantiomer of phenylalaninate. + + -1 + C9H10NO2 + InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1/t8-/m1/s1 + COLNVLDHVKWLRT-MRVPVSSYSA-M + 164.18120 + 164.07170 + N[C@H](Cc1ccccc1)C([O-])=O + Beilstein:5740552 + Gmelin:746993 + D-phenylalaninate + chebi_ontology + (2R)-2-amino-3-phenylpropanoate + D-phenylalanine anion + CHEBI:32494 + + D-phenylalaninate + + + + + + + + + + + + + + + + + + + + + An optically active form of phenylalaninium having D-configuration. + + +1 + C9H12NO2 + InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1/t8-/m1/s1 + COLNVLDHVKWLRT-MRVPVSSYSA-O + 166.19710 + 166.08626 + [NH3+][C@H](Cc1ccccc1)C(O)=O + D-phenylalaninium + chebi_ontology + (1R)-1-carboxy-2-phenylethanaminium + D-phenylalanine cation + CHEBI:32495 + + D-phenylalaninium + + + + + + + + + + + + + + + + An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group. + + -1 + C9H10NO2 + InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1 + COLNVLDHVKWLRT-UHFFFAOYSA-M + 164.18120 + 164.07170 + NC(Cc1ccccc1)C([O-])=O + Gmelin:329083 + phenylalaninate + chebi_ontology + 2-amino-3-phenylpropanoate + phenylalanine anion + CHEBI:32504 + + phenylalaninate + + + + + + + + + + + + + + + An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group. + + +1 + C9H12NO2 + InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1 + COLNVLDHVKWLRT-UHFFFAOYSA-O + 166.19710 + 166.08626 + [NH3+]C(Cc1ccccc1)C(O)=O + phenylalaninium + chebi_ontology + 1-carboxy-2-phenylethanaminium + phenylalanine cation + CHEBI:32505 + + phenylalaninium + + + + + + + + + + + + + + + + + + + + + An alpha-amino-acid cation that is the conjugate acid of glycine, arising from protonation of the amino. + + +1 + C2H6NO2 + InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p+1 + DHMQDGOQFOQNFH-UHFFFAOYSA-O + 76.07458 + 76.03930 + [NH3+]CC(O)=O + Gmelin:323509 + glycinium + chebi_ontology + H2gly(+) + NH3(+)-CH2-COOH + carboxymethanaminium + glycine cation + CHEBI:32507 + + glycinium + + + + + + + + + + + + + + + + + + + + + An alpha-amino-acid anion that is the conjugate base of glycine, arising from deprotonation of the carboxy group. + + -1 + C2H4NO2 + InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p-1 + DHMQDGOQFOQNFH-UHFFFAOYSA-M + 74.05870 + 74.02475 + NCC([O-])=O + Beilstein:1852023 + Gmelin:81890 + Reaxys:1852023 + UM-BBD_compID:c0559 + glycinate + chebi_ontology + H2N-CH2-COO(-) + aminoacetate + gly(-) + glycine anion + CHEBI:32508 + + glycinate + + + + + + + + + + + + + + + + + + + + + + -1 + C6H8N3O2 + InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p-1 + HNDVDQJCIGZPNO-UHFFFAOYSA-M + 154.14660 + 154.06220 + NC(Cc1c[nH]cn1)C([O-])=O + Beilstein:3959092 + Gmelin:364417 + histidinate(1-) + hydrogen histidinate + chebi_ontology + 2-amino-3-(1H-imidazol-4-yl)propanoate + histidine anion + CHEBI:32529 + + histidinate(1-) + + + + + + + + + + + + + + + + -2 + C6H7N3O2 + InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H2,8,9,10,11)/p-2 + TWRZMXZXJKNOLO-UHFFFAOYSA-L + 153.13880 + 153.05492 + NC(Cc1c[n-]cn1)C([O-])=O + histidinate + histidinate(2-) + chebi_ontology + 2-amino-3-imidazol-1-id-4-ylpropanoate + histidine dianion + CHEBI:32530 + + histidinate(2-) + + + + + + + + + + + + + + + + + + + + + + +1 + C6H10N3O2 + InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1 + HNDVDQJCIGZPNO-UHFFFAOYSA-O + 156.16262 + 156.07675 + [NH3+]C(Cc1c[nH]c[nH+]1)C([O-])=O + histidinium + histidinium(1+) + chebi_ontology + 2-ammonio-3-(1H-imidazol-3-ium-4-yl)propanoate + histidine monocation + CHEBI:32531 + + histidinium(1+) + + + + + + + + + + + + + + + + +2 + C6H11N3O2 + InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+2 + HNDVDQJCIGZPNO-UHFFFAOYSA-P + 157.17056 + 157.08403 + [NH3+]C(Cc1c[nH]c[nH+]1)C(O)=O + Gmelin:1151904 + histidinediium + histidinium(2+) + chebi_ontology + 4-(2-ammonio-2-carboxyethyl)-1H-imidazol-3-ium + histidine dication + CHEBI:32532 + + histidinium(2+) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of lysinate having L-configuration. + + -1 + C6H13N2O2 + InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p-1/t5-/m0/s1 + KDXKERNSBIXSRK-YFKPBYRVSA-M + 145.17970 + 145.09825 + NCCCC[C@H](N)C([O-])=O + Beilstein:4383108 + Gmelin:327969 + Reaxys:4383108 + L-lysinate + chebi_ontology + (2S)-2,6-diaminohexanoate + L-lysinate(1-) + L-lysine anion + CHEBI:32550 + + L-lysinate + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of lysinium having L-configuration. + + +1 + C6H15N2O2 + InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1 + KDXKERNSBIXSRK-YFKPBYRVSA-O + 147.19558 + 147.11280 + [NH3+]CCCC[C@H]([NH3+])C([O-])=O + Gmelin:1149956 + MetaCyc:LYS + L-lysinium + L-lysinium(1+) + chebi_ontology + (2S)-2,6-diammoniohexanoate + L-lysine + L-lysine monocation + CHEBI:32551 + + L-lysinium(1+) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + The L-enantiomer of lysinium(2+). + + +2 + C6H16N2O2 + InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2/t5-/m0/s1 + KDXKERNSBIXSRK-YFKPBYRVSA-P + 148.20352 + 148.12008 + [NH3+]CCCC[C@H]([NH3+])C(O)=O + Gmelin:1068715 + L-lysinediium + L-lysinium(2+) + chebi_ontology + (1S)-1-carboxypentane-1,5-diaminium + L-lysine dication + CHEBI:32552 + + L-lysinium(2+) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of lysinate having D-configuration. + + -1 + C6H13N2O2 + InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p-1/t5-/m1/s1 + KDXKERNSBIXSRK-RXMQYKEDSA-M + 145.17970 + 145.09825 + NCCCC[C@@H](N)C([O-])=O + Gmelin:1484324 + D-lysinate + chebi_ontology + (2R)-2,6-diaminohexanoate + D-lysinate(1-) + D-lysine anion + CHEBI:32556 + + D-lysinate + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of lysinium having D-configuration. + + +1 + C6H15N2O2 + InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m1/s1 + KDXKERNSBIXSRK-RXMQYKEDSA-O + 147.19558 + 147.11280 + [NH3+]CCCC[C@@H]([NH3+])C([O-])=O + D-lysinium + D-lysinium(1+) + chebi_ontology + (2R)-2,6-diammoniohexanoate + D-lysine + D-lysine monocation + CHEBI:32557 + + D-lysinium(1+) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + The D-enantiomer of lysinium(2+). + + +2 + C6H16N2O2 + InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2/t5-/m1/s1 + KDXKERNSBIXSRK-RXMQYKEDSA-P + 148.20352 + 148.12008 + [NH3+]CCCC[C@@H]([NH3+])C(O)=O + D-lysinediium + D-lysinium(2+) + chebi_ontology + (1R)-1-carboxypentane-1,5-diaminium + D-lysine dication + CHEBI:32558 + + D-lysinium(2+) + + + + + + + + + + + + + + + An alpha-amino-acid anion that is the conjugate base of lysine, arising from deprotonation of the carboxy group. + + -1 + C6H13N2O2 + InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p-1 + KDXKERNSBIXSRK-UHFFFAOYSA-M + 145.17970 + 145.09825 + NCCCCC(N)C([O-])=O + Gmelin:815095 + lysinate + chebi_ontology + 2,6-diaminohexanoate + lys(-) + lysinate(1-) + lysine anion + CHEBI:32563 + + lysinate + + + + + + + + + + + + + + + + + + + + + An alpha-amino-acid cation that is the conjugate acid of lysine, having two cationic amino groups and an anionic carboxy group. + + +1 + C6H15N2O2 + InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1 + KDXKERNSBIXSRK-UHFFFAOYSA-O + 147.19558 + 147.11280 + [NH3+]CCCCC([NH3+])C([O-])=O + lysinium + lysinium(1+) + chebi_ontology + 2,6-diammoniohexanoate + lysine monocation + CHEBI:32564 + + lysinium(1+) + + + + + + + + + + + + + + + An alpha-amino-acid cation obtained by protonation of both amino groups of lysine. + + +2 + C6H16N2O2 + InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2 + KDXKERNSBIXSRK-UHFFFAOYSA-P + 148.20352 + 148.12008 + [NH3+]CCCCC([NH3+])C(O)=O + lysinediium + lysinium(2+) + chebi_ontology + 1-carboxypentane-1,5-diaminium + lysine dication + CHEBI:32565 + + lysinium(2+) + + + + + + + + + + + + + + + + + + + + + + 0 + C6H12N2O + 128.17236 + 128.09496 + C(C(C(*)=O)N*)CCCN + lysine residue + chebi_ontology + lysine base residue + lysyl + CHEBI:32568 + + lysine residue + + + + + + + + + + + + + + + + + + + + + + +1 + C6H13N2O + 129.18030 + 129.10279 + C(C(C(*)=O)N*)CCC[NH3+] + lysinium residue + chebi_ontology + CHEBI:32579 + + lysinium residue + + + + + + + + + + An acene that consists of four ortho-fused benzene rings in a rectilinear arrangement. + + 0 + C18H12 + InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H + IFLREYGFSNHWGE-UHFFFAOYSA-N + 228.28788 + 228.09390 + c1ccc2cc3cc4ccccc4cc3cc2c1 + Beilstein:1909299 + CAS:92-24-0 + Gmelin:306993 + PMID:11493061 + PMID:24655187 + Reaxys:1909299 + Wikipedia:Tetracene + tetracene + chebi_ontology + 2,3-benzanthracene + benz[b]anthracene + naphthacene + CHEBI:32600 + + tetracene + + + + + + + + + + + + + + + + Gmelin:101585 + isoleucinate + chebi_ontology + ile(-) + isoleucine anion + rel-(2R,3R)-2-amino-3-methylpentanoate + CHEBI:32612 + + isoleucinate + + + + + + + + + + + + + + + + Gmelin:1651827 + isoleucinium + chebi_ontology + H2ile(+) + isoleucine cation + rel-(1R,2R)-1-carboxy-2-methylbutan-1-aminium + CHEBI:32613 + + isoleucinium + + + + + + + + @@ -46088,2011 +55404,3719 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p - + - - - + + + + + + + + + + + + + + + + + + + + - + - + - A serinate that is the conjugate base of L-serine, obtained by deprotonation of the carboxy group. + The L-enantiomer of methioninate. -1 - C3H6NO3 - InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1/t2-/m0/s1 - MTCFGRXMJLQNBG-REOHCLBHSA-M - 104.08468 - 104.03532 - N[C@@H](CO)C([O-])=O - Beilstein:4372751 - Gmelin:324693 - L-serinate + C5H10NO2S + InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1/t4-/m0/s1 + FFEARJCKVFRZRR-BYPYZUCNSA-M + 148.20444 + 148.04377 + CSCC[C@H](N)C([O-])=O + Beilstein:4740675 + Gmelin:326566 + Reaxys:4740675 + L-methioninate chebi_ontology - (2S)-2-amino-3-hydroxypropanoate - L-serine anion - CHEBI:32836 + (2S)-2-amino-4-(methylsulfanyl)butanoate + L-methionine anion + CHEBI:32631 - L-serinate + L-methioninate - + - - + + + + + + + + + + + + + + - + - + - A serinium that is the conjugate acid of L-serine, obtained by protonation of the amino group. + The L-enantiomer of methioninium. +1 - C3H8NO3 - InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1/t2-/m0/s1 - MTCFGRXMJLQNBG-REOHCLBHSA-O - 106.10056 - 106.04987 - [NH3+][C@@H](CO)C(O)=O - L-serinium + C5H12NO2S + InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1/t4-/m0/s1 + FFEARJCKVFRZRR-BYPYZUCNSA-O + 150.22032 + 150.05833 + CSCC[C@H]([NH3+])C(O)=O + Gmelin:1568767 + L-methioninium chebi_ontology - (1S)-1-carboxy-2-hydroxyethanaminium - L-serine cation - CHEBI:32837 + (1S)-1-carboxy-3-(methylsulfanyl)propan-1-aminium + L-methionine cation + CHEBI:32632 - L-serinium + L-methioninium - + - - + + + + + + + + + + + + + + - + - + - The D-enantiomer of serinate. + The D-enantiomer of methioninate. -1 - C3H6NO3 - InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1/t2-/m1/s1 - MTCFGRXMJLQNBG-UWTATZPHSA-M - 104.08468 - 104.03532 - N[C@H](CO)C([O-])=O - Gmelin:745975 - D-serinate + C5H10NO2S + InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1/t4-/m1/s1 + FFEARJCKVFRZRR-SCSAIBSYSA-M + 148.20444 + 148.04377 + CSCC[C@@H](N)C([O-])=O + Gmelin:720123 + D-methioninate chebi_ontology - (2R)-2-amino-3-hydroxypropanoate - D-serine anion - CHEBI:32840 + (2R)-2-amino-4-(methylsulfanyl)butanoate + D-methionine anion + CHEBI:32637 - D-serinate + D-methioninate - + - - + + + + + + + + + + + + + + - + - + - The D-enantiomer of serinium. + The D-enantiomer of methioninium. +1 - C3H8NO3 - InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1/t2-/m1/s1 - MTCFGRXMJLQNBG-UWTATZPHSA-O - 106.10056 - 106.04987 - [NH3+][C@H](CO)C(O)=O - D-serinium + C5H12NO2S + InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1/t4-/m1/s1 + FFEARJCKVFRZRR-SCSAIBSYSA-O + 150.22032 + 150.05833 + CSCC[C@@H]([NH3+])C(O)=O + D-methioninium chebi_ontology - (1R)-1-carboxy-2-hydroxyethanaminium - D-serine cation - CHEBI:32841 + (1R)-1-carboxy-3-(methylsulfanyl)propan-1-aminium + D-methionine cation + CHEBI:32638 - D-serinium + D-methioninium - + - + - - - - - - + - + - An alpha-amino-acid anion that is the conjugate base of serine. + A sulfur-containing amino-acid anion that is the conjugate base of methionine, arising from deprotonation of the carboxy group. -1 - C3H6NO3 - InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1 - MTCFGRXMJLQNBG-UHFFFAOYSA-M - 104.08468 - 104.03532 - NC(CO)C([O-])=O - Gmelin:324692 - serinate + C5H10NO2S + InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1 + FFEARJCKVFRZRR-UHFFFAOYSA-M + 148.20444 + 148.04377 + CSCCC(N)C([O-])=O + Beilstein:3937270 + Gmelin:326565 + Reaxys:3937270 + methioninate chebi_ontology - 2-amino-3-hydroxypropanoate - serine anion - CHEBI:32845 + 2-amino-4-(methylsulfanyl)butanoate + met(-) + methionine anion + CHEBI:32644 - serinate + methioninate - + - + - - - - - - - + - An alpha-amino-acid cation that is the conjugate acid of serine. + A sulfur-containing amino-acid anion that is the conjugate acid of methionine, arising from protonation of the amino group. +1 - C3H8NO3 - InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1 - MTCFGRXMJLQNBG-UHFFFAOYSA-O - 106.10056 - 106.04987 - [NH3+]C(CO)C(O)=O - Gmelin:1925675 - serinium + C5H12NO2S + InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1 + FFEARJCKVFRZRR-UHFFFAOYSA-O + 150.22032 + 150.05833 + CSCCC([NH3+])C(O)=O + Gmelin:326567 + methioninium chebi_ontology - 1-carboxy-2-hydroxyethanaminium - serine cation - CHEBI:32846 + 1-carboxy-3-(methylsulfanyl)propan-1-aminium + H2met(+) + methionine cation + CHEBI:32646 - serinium + methioninium - + - - + + - - - - - - - + - + - The L-enantiomer of valinate. + An optically active form of asparaginate having L-configuration. -1 - C5H10NO2 - InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1/t4-/m0/s1 - KZSNJWFQEVHDMF-BYPYZUCNSA-M - 116.13844 - 116.07170 - CC(C)[C@H](N)C([O-])=O - Beilstein:3933569 - Gmelin:325409 - L-valinate + C4H7N2O3 + InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p-1/t2-/m0/s1 + DCXYFEDJOCDNAF-REOHCLBHSA-M + 131.11006 + 131.04622 + N[C@@H](CC(N)=O)C([O-])=O + Beilstein:6115348 + Gmelin:327371 + HMDB:HMDB0000168 + Reaxys:6115348 + L-asparaginate chebi_ontology - (2S)-2-amino-3-methylbutanoate - L-valine anion - CHEBI:32851 + (2S)-2,4-diamino-4-oxobutanoate + L-asparagine anion + CHEBI:32650 - L-valinate + L-asparaginate - + - - - - - - - - + + - + - + - The L-enantiomer of valinium. +1 - C5H12NO2 - InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1/t4-/m0/s1 - KZSNJWFQEVHDMF-BYPYZUCNSA-O - 118.15432 - 118.08626 - CC(C)[C@H]([NH3+])C(O)=O - L-valinium + C4H9N2O3 + InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p+1/t2-/m0/s1 + DCXYFEDJOCDNAF-REOHCLBHSA-O + 133.12594 + 133.06077 + NC(=O)C[C@H]([NH3+])C(O)=O + L-asparaginium chebi_ontology - (1S)-1-carboxy-2-methylpropan-1-aminium - L-valine cation - CHEBI:32852 + (1S)-3-amino-1-carboxy-3-oxopropan-1-aminium + L-asparagine cation + CHEBI:32651 - L-valinium + L-asparaginium - + - - - - - - - - + + - + - + - The D-enantiomer of valinate. -1 - C5H10NO2 - InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1/t4-/m1/s1 - KZSNJWFQEVHDMF-SCSAIBSYSA-M - 116.13844 - 116.07170 - CC(C)[C@@H](N)C([O-])=O - Gmelin:325408 - D-valinate + C4H7N2O3 + InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p-1/t2-/m1/s1 + DCXYFEDJOCDNAF-UWTATZPHSA-M + 131.11006 + 131.04622 + N[C@H](CC(N)=O)C([O-])=O + Gmelin:533547 + D-asparaginate chebi_ontology - (2R)-2-amino-3-methylbutanoate - D-valine anion - CHEBI:32855 + (2R)-2,4-diamino-4-oxobutanoate + D-asparagine anion + CHEBI:32656 - D-valinate + D-asparaginate - + - - - - - - - - + + - + - + - The D-enantiomer of valinium. +1 - C5H12NO2 - InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1/t4-/m1/s1 - KZSNJWFQEVHDMF-SCSAIBSYSA-O - 118.15432 - 118.08626 - CC(C)[C@@H]([NH3+])C(O)=O - D-valinium + C4H9N2O3 + InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p+1/t2-/m1/s1 + DCXYFEDJOCDNAF-UWTATZPHSA-O + 133.12594 + 133.06077 + NC(=O)C[C@@H]([NH3+])C(O)=O + D-asparaginium chebi_ontology - (1R)-1-carboxy-2-methylpropan-1-aminium - D-valine cation - CHEBI:32856 + (1R)-3-amino-1-carboxy-3-oxopropan-1-aminium + D-asparagine cation + CHEBI:32657 - D-valinium + D-asparaginium - + - + - - + + An alpha-amino-acid anion that is the conjugate base of asparagine, arising from deprotonation of the carboxy group. -1 - C5H10NO2 - InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1 - KZSNJWFQEVHDMF-UHFFFAOYSA-M - 116.13844 - 116.07170 - CC(C)C(N)C([O-])=O - Gmelin:49876 - valinate + C4H7N2O3 + InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p-1 + DCXYFEDJOCDNAF-UHFFFAOYSA-M + 131.11006 + 131.04622 + NC(CC(N)=O)C([O-])=O + Gmelin:327370 + asparaginate chebi_ontology - 2-amino-3-methylbutanoate - val(-) - valine anion - CHEBI:32859 + 2,4-diamino-4-oxobutanoate + asp(-) + asparagine anion + CHEBI:32660 - valinate + asparaginate - + - + - + +1 - C5H12NO2 - InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1 - KZSNJWFQEVHDMF-UHFFFAOYSA-O - 118.15432 - 118.08626 - CC(C)C([NH3+])C(O)=O - Gmelin:1651060 - valinium + C4H9N2O3 + InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p+1 + DCXYFEDJOCDNAF-UHFFFAOYSA-O + 133.12594 + 133.06077 + NC(=O)CC([NH3+])C(O)=O + asparaginium chebi_ontology - 1-carboxy-2-methylpropan-1-aminium - H2val(+) - valine cation - CHEBI:32860 + 3-amino-1-carboxy-3-oxopropan-1-aminium + H2asp(+) + asparagine cation + CHEBI:32661 - valinium + asparaginium - + - - - - A compound formally derived from ammonia by replacing three hydrogen atoms by hydrocarbyl groups. - - - 0 - NR3 - 14.00670 - 14.00307 - [*]N([*])[*] - CHEBI:26879 - CHEBI:9458 - KEGG COMPOUND:C02196 - KEGG:C02196 - Tertiary amine - tertiary amines - chebi_ontology - NR3 - R3N - [*]N([*])[*] - tertiaeres Amin - CHEBI:32876 - - tertiary amine - - - - - - - - - - A compound formally derived from ammonia by replacing one hydrogen atom by a hydrocarbyl group. + + + + + + + + + An alpha-amino-acid anion that is the conjugate base of glutamine, arising from deprotonation of the carboxy group. - 0 - H2NR - 16.02260 - 16.01872 - N[*] - CHEBI:26263 - CHEBI:26265 - CHEBI:8407 - CHEBI:8409 - KEGG:C00375 - KEGG:C00893 - KEGG:C02580 - Primary amine - primary amines + -1 + C5H9N2O3 + InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p-1 + ZDXPYRJPNDTMRX-UHFFFAOYSA-M + 145.13664 + 145.06187 + NC(CCC(N)=O)C([O-])=O + Gmelin:464703 + glutaminate chebi_ontology - Primary monoamine - R-NH2 - RCH2NH2 - primaeres Amin - CHEBI:32877 + 2,5-diamino-5-oxopentanoate + gln(-) + glutamine anion + CHEBI:32678 - primary amine + glutaminate - + - - - An acyclic branched or unbranched hydrocarbon having one carbon-carbon double bond and the general formula CnH2n. Acyclic branched or unbranched hydrocarbons having more than one double bond are alkadienes, alkatrienes, etc. + + + + + + + + + An alpha-amino-acid cation that is the conjugate acid of glutamine, arising from protonation of the amino group. - 0 - C2H2R2 - 26.037 - 26.01565 - CHEBI:22320 - CHEBI:2581 - KEGG:C01372 - Alkene + +1 + C5H11N2O3 + InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1 + ZDXPYRJPNDTMRX-UHFFFAOYSA-O + 147.15252 + 147.07642 + NC(=O)CCC([NH3+])C(O)=O + glutaminium chebi_ontology - alkenes - olefin - CHEBI:32878 + 4-amino-1-carboxy-4-oxobutan-1-aminium + H2gln(+) + glutamine cation + CHEBI:32679 - alkene + glutaminium - + - - - + + - - + + - 0 - C3H8 - InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 - ATUOYWHBWRKTHZ-UHFFFAOYSA-N - 44.09562 - 44.06260 - CCC - Beilstein:1730718 - CAS:74-98-6 - Gmelin:25044 - propane + -1 + C6H13N4O2 + InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1 + ODKSFYDXXFIFQN-UHFFFAOYSA-M + 173.19318 + 173.10440 + NC(CCCNC(N)=N)C([O-])=O + Gmelin:603497 + argininate chebi_ontology - CH3-CH2-CH3 - E944 - Propan - CHEBI:32879 + 2-amino-5-(carbamimidamido)pentanoate + 2-amino-5-guanidinopentanoate + arg(-) + arginine anion + CHEBI:32695 - propane + argininate - + - - - 2286 - A pyridinium ion that has formula C21H38N. + + + + + + + + + + + + + + - +1 - C21H38N - InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1 - NEUSVAOJNUQRTM-UHFFFAOYSA-N - 304.53316 - 304.29988 - CCCCCCCCCCCCCCCC[n+]1ccccc1 - Beilstein:1431415 - CAS:7773-52-6 - ChemIDplus:1431415 - ChemIDplus:7773-52-6 - Drug_Central:3083 - Gmelin:342398 - 1-hexadecylpyridinium + C6H15N4O2 + InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1 + ODKSFYDXXFIFQN-UHFFFAOYSA-O + 175.20906 + 175.11895 + NC(=[NH2+])NCCCC([NH3+])C([O-])=O + Gmelin:1345599 + argininium + argininium(1+) chebi_ontology - C21H38N - CCCCCCCCCCCCCCCC[n+]1ccccc1 - InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1 - InChIKey=NEUSVAOJNUQRTM-UHFFFAOYSA-N - N-hexadecylpyridinium - CHEBI:32914 + 2-ammonio-5-guanidiniopentanoate + H2arg(+) + arginine + arginine monocation + CHEBI:32696 - Cetylpyridinium - cetylpyridinium + argininium(1+) - + - - - - - - - - - - - - - - - - - - - - - + + - - + + - A pyridinium salt that has N-hexadecylpyridinium as the cation and chloride as the anion. It has antiseptic properties and is used in solutions or lozenges for the treatment of minor infections of the mouth and throat. - PMID: 30918074 - 0 - C21H38ClN - InChI=1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1 - YMKDRGPMQRFJGP-UHFFFAOYSA-M - 339.98600 - 339.26928 - [Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1 - Beilstein:3578606 - CAS:123-03-5 - Gmelin:33016 - Wikipedia:Cetylpyridinium_Chloride - 1-hexadecylpyridinium chloride + +2 + C6H16N4O2 + InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2 + ODKSFYDXXFIFQN-UHFFFAOYSA-P + 176.21700 + 176.12623 + NC(=[NH2+])NCCCC([NH3+])C(O)=O + argininediium + argininium(2+) chebi_ontology - 1-cetylpyridinium chloride - 1-palmitylpyridinium chloride - N-cetylpyridinium chloride - N-hexadecylpyridinium chloride - cetylpyridinii chloridum - cetylpyridinium chloride - cetylpyridinium chloride anhydrous - chlorure de cetylpyridinium - cloruro de cetilpiridinio - hexadecylpyridinium chloride - CHEBI:32915 + (1-carboxy-4-guanidiniobutyl)ammonium + H3arg(2+) + arginine dication + CHEBI:32697 - cetylpyridinium chloride + argininium(2+) - + - - - A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by hydrocarbyl groups. + + + + + + + + + An alpha-amino-acid anion that is the conjugate base of tryptophan, arising from deprotonation of the carboxy group. - - CHEBI:13814 - CHEBI:22474 - CHEBI:2641 - KEGG COMPOUND:C00706 - KEGG:C00706 - Amine - amines + -1 + C11H11N2O2 + InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/p-1 + QIVBCDIJIAJPQS-UHFFFAOYSA-M + 203.21732 + 203.08260 + NC(Cc1c[nH]c2ccccc12)C([O-])=O + Beilstein:4144997 + Gmelin:331342 + Reaxys:4144998 + tryptophanate chebi_ontology - Amin - Substituted amine - an amine - CHEBI:32952 + 2-amino-3-(1H-indol-3-yl)propanoate + trp(-) + tryptophan anion + CHEBI:32727 - amine + tryptophanate - + - - + + - - + + - Any cyclic ether in which the oxygen atom forms part of a 3-membered ring. + An alpha-amino-acid cation that is the conjugate acid of tryptophan, arising from protonation of the alpha-amino group. - 0 - C2OR4 - 40.02080 - 39.99491 - [*]C1([*])OC1([*])[*] - CHEBI:13828 - CHEBI:23930 - CHEBI:4812 - KEGG:C00722 - PMID:10891060 - Wikipedia:Epoxide - Epoxide - epoxides + +1 + C11H13N2O2 + InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/p+1 + QIVBCDIJIAJPQS-UHFFFAOYSA-O + 205.23320 + 205.09715 + [NH3+]C(Cc1c[nH]c2ccccc12)C(O)=O + tryptophanium chebi_ontology - Alkene oxide - Olefin oxide - an epoxide - epoxides - CHEBI:32955 + 1-carboxy-2-(1H-indol-3-yl)ethanaminium + Htrp(+) + tryptophan cation + CHEBI:32728 - epoxide + tryptophanium - + - - - An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group. + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of tyrosinate having L-configuration. - - CHEBI:22473 - CHEBI:2633 - KEGG COMPOUND:C00241 - KEGG:C00241 - Amide - amides + -1 + C9H10NO3 + InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1/t8-/m0/s1 + OUYCCCASQSFEME-QMMMGPOBSA-M + 180.18064 + 180.06662 + N[C@@H](Cc1ccc(O)cc1)C([O-])=O + Beilstein:4784244 + Gmelin:329373 + Reaxys:4784244 + L-tyrosinate(1-) + hydrogen L-tyrosinate chebi_ontology - CHEBI:32988 + (2S)-2-amino-3-(4-hydroxyphenyl)propanoate + L-tyrosine anion + L-tyrosine monoanion + CHEBI:32760 - amide + L-tyrosinate(1-) - + - - - Intended use of the molecular entity or part thereof by humans. + + + + + + + + + + + + + + + + + + + + + The L-enantiomer of tyrosinate(2-). + -2 + C9H9NO3 + InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-2/t8-/m0/s1 + OUYCCCASQSFEME-QMMMGPOBSA-L + 179.17270 + 179.05934 + N[C@@H](Cc1ccc([O-])cc1)C([O-])=O + Beilstein:5339596 + Gmelin:364975 + Reaxys:5339596 + L-tyrosinate + L-tyrosinate(2-) chebi_ontology - CHEBI:33232 + (2S)-2-amino-3-(4-oxidophenyl)propanoate + L-tyrosine dianion + CHEBI:32761 - application + L-tyrosinate(2-) - + - - - A particle not known to have substructure. + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of tyrosinium having L-configuration. - elementary particle + +1 + C9H12NO3 + InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p+1/t8-/m0/s1 + OUYCCCASQSFEME-QMMMGPOBSA-O + 182.19652 + 182.08117 + [NH3+][C@@H](Cc1ccc(O)cc1)C(O)=O + Gmelin:1150138 + L-tyrosinium chebi_ontology - elementary particles - CHEBI:33233 + (1S)-1-carboxy-2-(4-hydroxyphenyl)ethanaminium + L-tyrosine cation + CHEBI:32762 - fundamental particle + L-tyrosinium - + - - - A monoatomic entity is a molecular entity consisting of a single atom. + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of tyrosinate(1-) having D-configuration. + -1 + C9H10NO3 + InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1/t8-/m1/s1 + OUYCCCASQSFEME-MRVPVSSYSA-M + 180.18064 + 180.06662 + N[C@H](Cc1ccc(O)cc1)C([O-])=O + Gmelin:1484464 + D-tyrosinate(1-) + hydrogen D-tyrosinate chebi_ontology - atomic entity - monoatomic entities - CHEBI:33238 + (2R)-2-amino-3-(4-hydroxyphenyl)propanoate + D-tyrosine monoanion + CHEBI:32773 - monoatomic entity + D-tyrosinate(1-) - + - - + + - - + + + + + + + + + + + + + + + The D-enantiomer of tyrosinate(2-). + -2 + C9H9NO3 + InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-2/t8-/m1/s1 + OUYCCCASQSFEME-MRVPVSSYSA-L + 179.17270 + 179.05934 + N[C@H](Cc1ccc([O-])cc1)C([O-])=O + D-tyrosinate + D-tyrosinate(2-) chebi_ontology - oxoacid derivatives - CHEBI:33241 + (2R)-2-amino-3-(4-oxidophenyl)propanoate + D-tyrosine dianion + CHEBI:32774 - oxoacid derivative + D-tyrosinate(2-) - + - - - + + + + + + + + + + + + + + + + + + + + + An optically active form of tyrosinium having D-configuration. + +1 + C9H12NO3 + InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p+1/t8-/m1/s1 + OUYCCCASQSFEME-MRVPVSSYSA-O + 182.19652 + 182.08117 + [NH3+][C@H](Cc1ccc(O)cc1)C(O)=O + Gmelin:364976 + D-tyrosinium chebi_ontology - inorganic hydrides - CHEBI:33242 + (1R)-1-carboxy-2-(4-hydroxyphenyl)ethanaminium + D-tyrosine cation + CHEBI:32775 - inorganic hydride + D-tyrosinium - + - - - - An organic fundamental parent is a structure used as a basis for substitutive names in organic nomenclature, containing, in addition to one or more hydrogen atoms, a single atom of an element, a number of atoms (alike or different) linked together to form an unbranched chain, a monocyclic or polycyclic ring system, or a ring assembly or ring/chain system. + + + + + + + + + + + + + + + An alpha-amino-acid anion that is the conjugate base of tyrosine, arising from deprotonation of the carboxy group. + -1 + C9H10NO3 + InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1 + OUYCCCASQSFEME-UHFFFAOYSA-M + 180.18064 + 180.06662 + NC(Cc1ccc(O)cc1)C([O-])=O + Beilstein:3548387 + Beilstein:4139515 + Gmelin:329372 + hydrogen tyrosinate + tyrosinate(1-) chebi_ontology - organic fundamental parents - organic parent hydrides - CHEBI:33245 + 2-amino-3-(4-hydroxyphenyl)propanoate + tyrosine anion + CHEBI:32784 - organic fundamental parent + tyrosinate(1-) - + - - - Any substituent group which does not contain carbon. + + + + + + + + + -2 + C9H9NO3 + InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-2 + OUYCCCASQSFEME-UHFFFAOYSA-L + 179.17270 + 179.05934 + NC(Cc1ccc([O-])cc1)C([O-])=O + tyrosinate + tyrosinate(2-) chebi_ontology - inorganic groups - CHEBI:33246 + 2-amino-3-(4-oxidophenyl)propanoate + tyrosine dianion + CHEBI:32785 - inorganic group + tyrosinate(2-) - + - - - + + - - + + - Any substituent group or skeleton containing carbon. + An alpha-amino-acid cation that is the conjugate acid of tyrosine, arising from protonation of the amino group. - + +1 + C9H12NO3 + InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p+1 + OUYCCCASQSFEME-UHFFFAOYSA-O + 182.19652 + 182.08117 + [NH3+]C(Cc1ccc(O)cc1)C(O)=O + tyrosinium chebi_ontology - organic groups - CHEBI:33247 + 1-carboxy-2-(4-hydroxyphenyl)ethanaminium + tyrosine cation + CHEBI:32786 - organic group + tyrosinium - + - - + + + - - + + - A univalent group formed by removing a hydrogen atom from a hydrocarbon. + + + + + + + + + + + + + + + + + + + + + + + + + An L-alpha-amino acid anion that is the conjugate base of L-threonine, arising from deprotonation of the carboxy group. - hydrocarbyl group - hydrocarbyl groups + -1 + C4H8NO3 + InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p-1/t2-,3+/m1/s1 + AYFVYJQAPQTCCC-GBXIJSLDSA-M + 118.11126 + 118.05097 + C[C@@H](O)[C@H](N)C([O-])=O + Beilstein:4376295 + Gmelin:464365 + Reaxys:4376295 + L-threoninate chebi_ontology - groupe hydrocarbyle - grupo hidrocarbilo - grupos hidrocarbilo - CHEBI:33248 + (2S,3R)-2-amino-3-hydroxybutanoate + L-threonine anion + CHEBI:32820 - hydrocarbyl group + L-threoninate - + - - - Any organic substituent group, regardless of functional type, having one free valence at a carbon atom. + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + The L-enantiomer of threoninium. - organyl group - organyl groups + +1 + C4H10NO3 + InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p+1/t2-,3+/m1/s1 + AYFVYJQAPQTCCC-GBXIJSLDSA-O + 120.12714 + 120.06552 + C[C@@H](O)[C@H]([NH3+])C(O)=O + L-threoninium chebi_ontology - groupe organyle - grupo organilo - grupos organilo - CHEBI:33249 + (1S,2R)-1-carboxy-2-hydroxypropan-1-aminium + L-threonine cation + CHEBI:32822 - organyl group + L-threoninium - + - - + + - - + + - - + + - A chemical entity constituting the smallest component of an element having the chemical properties of the element. + + + + + + + The D-enantiomer of threoninate. - CHEBI:22671 - CHEBI:23907 - atom + -1 + C4H8NO3 + InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p-1/t2-,3+/m0/s1 + AYFVYJQAPQTCCC-STHAYSLISA-M + 118.11126 + 118.05097 + C[C@H](O)[C@@H](N)C([O-])=O + Gmelin:1006174 + D-threoninate chebi_ontology - atome - atomo - atoms - atomus - element - elements - CHEBI:33250 + (2R,3S)-2-amino-3-hydroxybutanoate + D-threonine anion + CHEBI:32827 - atom + D-threoninate - + - - + + - - + + - A nucleus is the positively charged central portion of an atom, excluding the orbital electrons. + + + + + + + + + + + + + The D-enantiomer of threoninium. - nucleus + +1 + C4H10NO3 + InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p+1/t2-,3+/m0/s1 + AYFVYJQAPQTCCC-STHAYSLISA-O + 120.12714 + 120.06552 + C[C@H](O)[C@@H]([NH3+])C(O)=O + D-threoninium chebi_ontology - Atomkern - Kern - noyau - noyau atomique - nuclei - nucleo - nucleo atomico - nucleus atomi - CHEBI:33252 + (1R,2S)-1-carboxy-2-hydroxypropan-1-aminium + D-threonine cation + CHEBI:32828 - atomic nucleus + D-threoninium - + - - - - Heavy nuclear particle: proton or neutron. + + + + + + + + - nucleon + 0 + C4H8NO3 + 118.111 + 118.05042 + threoninate chebi_ontology - Nukleon - Nukleonen - nucleons - CHEBI:33253 + rel-(2R,3S)-2-amino-3-hydroxybutanoate + threonine anion + CHEBI:32832 - nucleon + threoninate - + - - - A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group. + + + + + + + + - - primary amide - primary amides + 0 + C4H10NO3 + 120.127 + 120.06607 + threoninium chebi_ontology - CHEBI:33256 + rel-(1R,2S)-1-carboxy-2-hydroxypropan-1-aminium + threonine cation + CHEBI:32833 - primary amide + threoninium - + - - - A derivative of two oxoacids RkE(=O)l(OH)m (l =/= 0) in which two acyl groups are attached to the amino or substituted amino group. + + + + + + + + + + + + + + + + A serinate that is the conjugate base of L-serine, obtained by deprotonation of the carboxy group. - secondary amide - secondary amides + -1 + C3H6NO3 + InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1/t2-/m0/s1 + MTCFGRXMJLQNBG-REOHCLBHSA-M + 104.08468 + 104.03532 + N[C@@H](CO)C([O-])=O + Beilstein:4372751 + Gmelin:324693 + L-serinate chebi_ontology - CHEBI:33257 + (2S)-2-amino-3-hydroxypropanoate + L-serine anion + CHEBI:32836 - secondary amide + L-serinate - + - - - A molecular entity all atoms of which have the same atomic number. + + + + + + + + + + + + + + + A serinium that is the conjugate acid of L-serine, obtained by protonation of the amino group. + +1 + C3H8NO3 + InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1/t2-/m0/s1 + MTCFGRXMJLQNBG-REOHCLBHSA-O + 106.10056 + 106.04987 + [NH3+][C@@H](CO)C(O)=O + L-serinium chebi_ontology - homoatomic entity - homoatomic molecular entities - homoatomic molecular entity - CHEBI:33259 + (1S)-1-carboxy-2-hydroxyethanaminium + L-serine cation + CHEBI:32837 - elemental molecular entity + L-serinium - + - - - - An organosulfur compound is a compound containing at least one carbon-sulfur bond. + + + + + + + + + + + + + + + The D-enantiomer of serinate. - - CHEBI:23010 - CHEBI:25714 - Wikipedia:Organosulfur_compounds - organosulfur compound + -1 + C3H6NO3 + InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1/t2-/m1/s1 + MTCFGRXMJLQNBG-UWTATZPHSA-M + 104.08468 + 104.03532 + N[C@H](CO)C([O-])=O + Gmelin:745975 + D-serinate chebi_ontology - organosulfur compounds - CHEBI:33261 + (2R)-2-amino-3-hydroxypropanoate + D-serine anion + CHEBI:32840 - organosulfur compound + D-serinate - + - - + + + + + + + + + + + + + + + The D-enantiomer of serinium. - 0 - N2 - 28.013 - 28.00615 + +1 + C3H8NO3 + InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1/t2-/m1/s1 + MTCFGRXMJLQNBG-UWTATZPHSA-O + 106.10056 + 106.04987 + [NH3+][C@H](CO)C(O)=O + D-serinium chebi_ontology - CHEBI:33266 + (1R)-1-carboxy-2-hydroxyethanaminium + D-serine cation + CHEBI:32841 - diatomic nitrogen + D-serinium - + - - - + + + + + + + + + + + + + + + An alpha-amino-acid anion that is the conjugate base of serine. + -1 + C3H6NO3 + InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1 + MTCFGRXMJLQNBG-UHFFFAOYSA-M + 104.08468 + 104.03532 + NC(CO)C([O-])=O + Gmelin:324692 + serinate chebi_ontology - CHEBI:33267 + 2-amino-3-hydroxypropanoate + serine anion + CHEBI:32845 - elemental nitrogen + serinate - + - - - - An anion consisting of more than one atom. + + + + + + + + + + + + + + + An alpha-amino-acid cation that is the conjugate acid of serine. + +1 + C3H8NO3 + InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1 + MTCFGRXMJLQNBG-UHFFFAOYSA-O + 106.10056 + 106.04987 + [NH3+]C(CO)C(O)=O + Gmelin:1925675 + serinium chebi_ontology - polyatomic anions - CHEBI:33273 + 1-carboxy-2-hydroxyethanaminium + serine cation + CHEBI:32846 - polyatomic anion + serinium - + - - + + + + + + + + + + + + + + + + + + + + + + The L-enantiomer of valinate. + -1 + C5H10NO2 + InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1/t4-/m0/s1 + KZSNJWFQEVHDMF-BYPYZUCNSA-M + 116.13844 + 116.07170 + CC(C)[C@H](N)C([O-])=O + Beilstein:3933569 + Gmelin:325409 + L-valinate chebi_ontology - chemical messenger - CHEBI:33280 + (2S)-2-amino-3-methylbutanoate + L-valine anion + CHEBI:32851 - molecular messenger + L-valinate - + - - - A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. + + + + + + + + + + + + + + + + + + + + + The L-enantiomer of valinium. - CHEBI:22582 - PMID:12964249 - PMID:22117953 - PMID:22439833 - PMID:22849268 - PMID:22849276 - PMID:22958833 + +1 + C5H12NO2 + InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1/t4-/m0/s1 + KZSNJWFQEVHDMF-BYPYZUCNSA-O + 118.15432 + 118.08626 + CC(C)[C@H]([NH3+])C(O)=O + L-valinium chebi_ontology - Antibiotika - Antibiotikum - antibiotic - antibiotics - antibiotique - antimicrobial - antimicrobial agents - antimicrobials - microbicide - microbicides - CHEBI:33281 + (1S)-1-carboxy-2-methylpropan-1-aminium + L-valine cation + CHEBI:32852 - antimicrobial agent + L-valinium - + - - - A substance (or active part thereof) that kills or slows the growth of bacteria. + + + + + + + + + + + + + + + + + + + + + The D-enantiomer of valinate. + -1 + C5H10NO2 + InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1/t4-/m1/s1 + KZSNJWFQEVHDMF-SCSAIBSYSA-M + 116.13844 + 116.07170 + CC(C)[C@@H](N)C([O-])=O + Gmelin:325408 + D-valinate chebi_ontology - antibacterial agents - antibacterials - bactericide - bactericides - CHEBI:33282 + (2R)-2-amino-3-methylbutanoate + D-valine anion + CHEBI:32855 - antibacterial agent + D-valinate - + - - - A nutrient is a food component that an organism uses to survive and grow. - - chebi_ontology - nutrients - CHEBI:33284 - - nutrient - - - - - - - - - A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms. - - - chebi_ontology - heteroorganic entities - organoelement compounds - CHEBI:33285 - - heteroorganic entity - - - - - - - - - An agrochemical is a substance that is used in agriculture or horticulture. - - Wikipedia:Agrochemical - chebi_ontology - agrichemical - agrichemicals - agricultural chemicals - agrochemicals - CHEBI:33286 - - agrochemical - - - - - - - - - A fertilizer is any substance that is added to soil or water to assist the growth of plants. - - chebi_ontology - fertiliser - fertilizers - CHEBI:33287 - - fertilizer - - - - - - - - - An energy-rich substance that can be transformed with release of usable energy. - - chebi_ontology - CHEBI:33292 - - fuel - - - - - - - - - A substance administered to aid diagnosis of a disease. + + + + + + + + + + + + + + + + + + + + + The D-enantiomer of valinium. + +1 + C5H12NO2 + InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1/t4-/m1/s1 + KZSNJWFQEVHDMF-SCSAIBSYSA-O + 118.15432 + 118.08626 + CC(C)[C@@H]([NH3+])C(O)=O + D-valinium chebi_ontology - diagnostic aid - CHEBI:33295 + (1R)-1-carboxy-2-methylpropan-1-aminium + D-valine cation + CHEBI:32856 - diagnostic agent + D-valinium - + - - - Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth. + + + + + + + + + - pnictogens + -1 + C5H10NO2 + InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1 + KZSNJWFQEVHDMF-UHFFFAOYSA-M + 116.13844 + 116.07170 + CC(C)C(N)C([O-])=O + Gmelin:49876 + valinate chebi_ontology - group 15 elements - group V elements - nitrogenoideos - nitrogenoides - pnictogene - pnictogenes - CHEBI:33300 + 2-amino-3-methylbutanoate + val(-) + valine anion + CHEBI:32859 - pnictogen + valinate - + - - + + - - + + - A p-block molecular entity containing any pnictogen. - - pnictogen molecular entity + +1 + C5H12NO2 + InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1 + KZSNJWFQEVHDMF-UHFFFAOYSA-O + 118.15432 + 118.08626 + CC(C)C([NH3+])C(O)=O + Gmelin:1651060 + valinium chebi_ontology - pnictogen molecular entities - CHEBI:33302 + 1-carboxy-2-methylpropan-1-aminium + H2val(+) + valine cation + CHEBI:32860 - pnictogen molecular entity + valinium - + - - - Any p-block element belonging to the group 16 family of the periodic table. + + + + + + + + + + + + + + + + + + + + + + An optically active form of prolinate having L-configuration. - PMID:17084588 - chalcogen - chalcogens + -1 + C5H8NO2 + InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1/t4-/m0/s1 + ONIBWKKTOPOVIA-BYPYZUCNSA-M + 114.12250 + 114.05605 + [O-]C(=O)[C@@H]1CCCN1 + Beilstein:4307988 + Gmelin:82610 + Reaxys:4307988 + L-prolinate chebi_ontology - Chalkogen - Chalkogene - anfigeno - anfigenos - calcogeno - calcogenos - chalcogene - chalcogenes - group 16 elements - group VI elements - CHEBI:33303 + (2S)-pyrrolidine-2-carboxylate + L-proline anion + CHEBI:32862 - chalcogen + L-prolinate - + - - + + - - + + - Any p-block molecular entity containing a chalcogen. + + + + + + + + + + + + + An optically active form of prolinium having L-configuration. - - chalcogen molecular entity + +1 + C5H10NO2 + InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m0/s1 + ONIBWKKTOPOVIA-BYPYZUCNSA-O + 116.13840 + 116.07060 + OC(=O)[C@@H]1CCC[NH2+]1 + Gmelin:363493 + L-prolinium chebi_ontology - chalcogen compounds - chalcogen molecular entities - CHEBI:33304 + (2S)-2-carboxypyrrolidinium + L-proline cation + CHEBI:32864 - chalcogen molecular entity + L-prolinium - + - - + + + + + + + + + + + + + + + + - group 14 elements + 0 + C5H8NO2 + 114.12250 + 114.05550 + O=C(O)[C@@H]1CCCN1* + (2S)-2-carboxypyrrolidin-1-yl chebi_ontology - carbon group element - carbon group elements - carbonoides - cristallogene - cristallogenes - group IV elements - CHEBI:33306 + -Pro + L-prolino + CHEBI:32866 - carbon group element atom + L-prolino group - + - - - - An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl. - An ester of a carboxylic acid. + + + + + + + + + + + + + + + + + + + + + An optically active form of prolinate having D-configuration. - - 0 - CO2R2 - 44.010 - 43.98983 - [*]C(=O)O[*] - CHEBI:13204 - CHEBI:23028 - CHEBI:3408 - KEGG COMPOUND:C02391 - KEGG:C02391 - Wikipedia:Ester - Carboxylic ester - carboxylic ester - carboxylic esters + -1 + C5H8NO2 + InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1/t4-/m1/s1 + ONIBWKKTOPOVIA-SCSAIBSYSA-M + 114.12250 + 114.05605 + [O-]C(=O)[C@H]1CCCN1 + Gmelin:533350 + D-prolinate chebi_ontology - CO2R2 - a carboxylic ester - carboxylic acid esters - CHEBI:33308 + (2R)-pyrrolidine-2-carboxylate + D-proline anion + CHEBI:32867 - carboxylic ester + D-prolinate - + - - - An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table. + + + + + + + + + + + + + + + + + + + + + An optically active form of prolinium having D-configuration. - main group elements + +1 + C5H10NO2 + InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m1/s1 + ONIBWKKTOPOVIA-SCSAIBSYSA-O + 116.13840 + 116.07060 + OC(=O)[C@H]1CCC[NH2+]1 + Gmelin:363492 + D-prolinium chebi_ontology - Hauptgruppenelement - Hauptgruppenelemente - main group element - CHEBI:33318 + (2R)-2-carboxypyrrolidinium + D-proline cation + CHEBI:32868 - main group element atom + D-prolinium - + - - + + - + - - + + - A serine zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-serine. 0 - C3H7NO3 - InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 - MTCFGRXMJLQNBG-REOHCLBHSA-N - 105.09262 - 105.04259 - [NH3+][C@@H](CO)C([O-])=O - MetaCyc:SER - (2S)-2-ammonio-3-hydroxypropanoate - L-serine zwitterion + C5H8NO2 + 114.12250 + 114.05550 + O=C(O)[C@H]1CCCN1* + (2R)-2-carboxypyrrolidin-1-yl chebi_ontology - L-serine - CHEBI:33384 + -D-Pro + D-prolino + CHEBI:32870 - L-serine zwitterion + D-prolino group - + - - - + + + + + + + + + An alpha-amino-acid anion that is the conjugate base of proline, arising from deprotonation of the carboxy group. + -1 + C5H8NO2 + InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1 + ONIBWKKTOPOVIA-UHFFFAOYSA-M + 114.12256 + 114.05605 + [O-]C(=O)C1CCCN1 + Beilstein:5387795 + Gmelin:50151 + Reaxys:5387795 + prolinate chebi_ontology - oxoacids of sulfur - sulfur oxoacids - CHEBI:33402 + pro(-) + proline anion + pyrrolidine-2-carboxylate + CHEBI:32871 - sulfur oxoacid + prolinate - + - - + + - - + + - A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons). + An alpha-amino-acid cation that is the conjugate acid of proline, arising from protonation of the amino group. - hydracid + +1 + C5H10NO2 + InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1 + ONIBWKKTOPOVIA-UHFFFAOYSA-O + 116.13840 + 116.07060 + OC(=O)C1CCC[NH2+]1 + prolinium chebi_ontology - hydracids - CHEBI:33405 + 2-carboxypyrrolidinium + H2pro(+) + proline cation + CHEBI:32872 - hydracid + prolinium - + - - - + + - - + + + 0 + C5H8NO2 + 114.12256 + 114.05550 + O=C(O)C1CCCN1* + 2-carboxypyrrolidin-1-yl chebi_ontology - pnictogen oxoacids - CHEBI:33408 + prolino + CHEBI:32873 - pnictogen oxoacid + prolino group - + - - - + + + + A compound formally derived from ammonia by replacing three hydrogen atoms by hydrocarbyl groups. - sulfur oxoacid derivative + + 0 + NR3 + 14.00670 + 14.00307 + [*]N([*])[*] + CHEBI:26879 + CHEBI:9458 + KEGG COMPOUND:C02196 + KEGG:C02196 + Tertiary amine + tertiary amines chebi_ontology - sulfur oxoacid derivatives - CHEBI:33424 + NR3 + R3N + [*]N([*])[*] + tertiaeres Amin + CHEBI:32876 - sulfur oxoacid derivative + tertiary amine - + - - - + + + + A compound formally derived from ammonia by replacing one hydrogen atom by a hydrocarbyl group. - -1 - 0.00000 - [*-] + 0 + H2NR + 16.02260 + 16.01872 + N[*] + CHEBI:26263 + CHEBI:26265 + CHEBI:8407 + CHEBI:8409 + KEGG:C00375 + KEGG:C00893 + KEGG:C02580 + Primary amine + primary amines chebi_ontology - monoatomic monoanions - CHEBI:33429 + Primary monoamine + R-NH2 + RCH2NH2 + primaeres Amin + CHEBI:32877 - monoatomic monoanion + primary amine - + - - - + + + An acyclic branched or unbranched hydrocarbon having one carbon-carbon double bond and the general formula CnH2n. Acyclic branched or unbranched hydrocarbons having more than one double bond are alkadienes, alkatrienes, etc. + 0 + C2H2R2 + 26.037 + 26.01565 + CHEBI:22320 + CHEBI:2581 + KEGG:C01372 + Alkene chebi_ontology - CHEBI:33431 + alkenes + olefin + CHEBI:32878 - elemental chlorine + alkene - + - - - + + + + + + + + + 0 - Cl - 35.453 - 34.96885 + C3H8 + InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 + ATUOYWHBWRKTHZ-UHFFFAOYSA-N + 44.09562 + 44.06260 + CCC + Beilstein:1730718 + CAS:74-98-6 + Gmelin:25044 + propane chebi_ontology - atomic chlorine - CHEBI:33432 + CH3-CH2-CH3 + E944 + Propan + CHEBI:32879 - monoatomic chlorine + propane - + - - + + + 2286 + A pyridinium ion that has formula C21H38N. + + +1 + C21H38N + InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1 + NEUSVAOJNUQRTM-UHFFFAOYSA-N + 304.53316 + 304.29988 + CCCCCCCCCCCCCCCC[n+]1ccccc1 + Beilstein:1431415 + CAS:7773-52-6 + ChemIDplus:1431415 + ChemIDplus:7773-52-6 + Drug_Central:3083 + Gmelin:342398 + 1-hexadecylpyridinium chebi_ontology - monoatomic halogens - CHEBI:33433 + C21H38N + CCCCCCCCCCCCCCCC[n+]1ccccc1 + InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1 + InChIKey=NEUSVAOJNUQRTM-UHFFFAOYSA-N + N-hexadecylpyridinium + CHEBI:32914 - monoatomic halogen + Cetylpyridinium + cetylpyridinium - + - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + A pyridinium salt that has N-hexadecylpyridinium as the cation and chloride as the anion. It has antiseptic properties and is used in solutions or lozenges for the treatment of minor infections of the mouth and throat. + PMID: 30918074 - elemental halogen + 0 + C21H38ClN + InChI=1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1 + YMKDRGPMQRFJGP-UHFFFAOYSA-M + 339.98600 + 339.26928 + [Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1 + Beilstein:3578606 + CAS:123-03-5 + Gmelin:33016 + Wikipedia:Cetylpyridinium_Chloride + 1-hexadecylpyridinium chloride chebi_ontology - elemental halogens - CHEBI:33434 + 1-cetylpyridinium chloride + 1-palmitylpyridinium chloride + N-cetylpyridinium chloride + N-hexadecylpyridinium chloride + cetylpyridinii chloridum + cetylpyridinium chloride + cetylpyridinium chloride anhydrous + chlorure de cetylpyridinium + cloruro de cetilpiridinio + hexadecylpyridinium chloride + CHEBI:32915 - elemental halogen + cetylpyridinium chloride - + - - - Arylmethyl groups and derivatives formed by substitution: ArCR2-. + + + A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by hydrocarbyl groups. - benzylic group - benzylic groups + + CHEBI:13814 + CHEBI:22474 + CHEBI:2641 + KEGG COMPOUND:C00706 + KEGG:C00706 + Amine + amines chebi_ontology - benzylic groups - groupe benzylique - CHEBI:33452 + Amin + Substituted amine + an amine + CHEBI:32952 - benzylic group + amine - + - - - - A pnictogen oxoacid which contains phosphorus and oxygen, at least one hydrogen atom bound to oxygen, and forms an ion by the loss of one or more protons. + + + + + + + + + Any cyclic ether in which the oxygen atom forms part of a 3-membered ring. - phosphorus oxoacid + 0 + C2OR4 + 40.02080 + 39.99491 + [*]C1([*])OC1([*])[*] + CHEBI:13828 + CHEBI:23930 + CHEBI:4812 + KEGG:C00722 + PMID:10891060 + Wikipedia:Epoxide + Epoxide + epoxides chebi_ontology - Oxosaeure des Phosphors - oxoacids of phosphorus - phosphorus oxoacids - CHEBI:33457 + Alkene oxide + Olefin oxide + an epoxide + epoxides + CHEBI:32955 - phosphorus oxoacid + epoxide - + - - - + + + An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group. - pnictogen oxoanion + + CHEBI:22473 + CHEBI:2633 + KEGG COMPOUND:C00241 + KEGG:C00241 + Amide + amides chebi_ontology - pnictogen oxoanions - CHEBI:33459 + CHEBI:32988 - pnictogen oxoanion + amide - + - - - - + + + + A biochemical role played by any micronutrient that is an organic compound. Vitamins are present in foods in small amounts and are essential to normal metabolism and biochemical functions, usually as coenzymes. The term "vitamines" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines. - phosphorus oxoanion + CHEBI:10004 + CHEBI:27305 + Wikipedia:Vitamin chebi_ontology - oxoanions of phosphorus - phosphorus oxoanions - CHEBI:33461 + vitamin + vitamina + vitaminas + vitamine + vitamines + vitamins + vitaminum + CHEBI:33229 - phosphorus oxoanion + vitamin (role) - + - - - - + + + Intended use of the molecular entity or part thereof by humans. - elemental pnictogen chebi_ontology - elemental pnictogens - CHEBI:33465 + CHEBI:33232 - elemental pnictogen + application - + - - - + + + A particle not known to have substructure. - sulfur oxoanion + elementary particle chebi_ontology - oxoanions of sulfur - sulfur oxoanions - CHEBI:33482 + elementary particles + CHEBI:33233 - sulfur oxoanion + fundamental particle - + - - - + + + A monoatomic entity is a molecular entity consisting of a single atom. + + chebi_ontology + atomic entity + monoatomic entities + CHEBI:33238 + + monoatomic entity + + + + + + + + - - + + - chalcogen oxoacid chebi_ontology - chalcogen oxoacids - CHEBI:33484 + oxoacid derivatives + CHEBI:33241 - chalcogen oxoacid + oxoacid derivative - + - - - + + + - chalcogen oxoanion chebi_ontology - chalcogen oxoanions - CHEBI:33485 + inorganic hydrides + CHEBI:33242 - chalcogen oxoanion + inorganic hydride - + - - - A molecular entity containing one or more atoms of a transition element. - - transition element molecular entities - transition metal molecular entity - CHEBI:33497 - transition element molecular entity + + + + An organic fundamental parent is a structure used as a basis for substitutive names in organic nomenclature, containing, in addition to one or more hydrogen atoms, a single atom of an element, a number of atoms (alike or different) linked together to form an unbranched chain, a monocyclic or polycyclic ring system, or a ring assembly or ring/chain system. + + chebi_ontology + organic fundamental parents + organic parent hydrides + CHEBI:33245 + + organic fundamental parent - + - - - + + + Any substituent group which does not contain carbon. - sulfur hydride chebi_ontology - hydrides of sulfur - sulfur hydrides - sulphur hydrides - CHEBI:33535 + inorganic groups + CHEBI:33246 - sulfur hydride + inorganic group - + - - + + + - - + + - The sulfur oxoanion formed by deprotonation of sulfonic acid. + Any substituent group or skeleton containing carbon. - -1 - HO3S - InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1 - BDHFUVZGWQCTTF-UHFFFAOYSA-M - 81.07214 - 80.96519 - [H]S([O-])(=O)=O - Gmelin:971569 - hydridotrioxidosulfate(1-) + chebi_ontology - SHO3(-) - [SHO3](-) - sulfonates - CHEBI:33543 + organic groups + CHEBI:33247 - sulfonate + organic group - + - - - - - - - - - - - - - - - - + + - - + + - An organic derivative of sulfonic acid in which the sulfo group is linked directly to carbon. + A univalent group formed by removing a hydrogen atom from a hydrocarbon. - 0 - HO3SR - 81.07100 - 80.96464 - OS([*])(=O)=O + hydrocarbyl group + hydrocarbyl groups chebi_ontology - organosulfonic acids - sulfonic acids - CHEBI:33551 + groupe hydrocarbyle + grupo hidrocarbilo + grupos hidrocarbilo + CHEBI:33248 - organosulfonic acid + hydrocarbyl group - + - - - - - - - - + + + Any organic substituent group, regardless of functional type, having one free valence at a carbon atom. - sulfonic acid derivative + organyl group + organyl groups chebi_ontology - derivatives of sulfonic acid - sulfonic acid derivatives - CHEBI:33552 + groupe organyle + grupo organilo + grupos organilo + CHEBI:33249 - sulfonic acid derivative + organyl group - + - - + + - - + + - - + + - An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid. + A chemical entity constituting the smallest component of an element having the chemical properties of the element. - -1 - O3SR - 80.064 - 79.95681 - *S([O-])(=O)=O + CHEBI:22671 + CHEBI:23907 + atom chebi_ontology - organosulfonate - organosulfonate oxoanions - organosulfonates - CHEBI:33554 + atome + atomo + atoms + atomus + element + elements + CHEBI:33250 - organosulfonate oxoanion + atom - + - - + + - - + + - An amino-acid anion obtained by deprotonation of any alpha-amino acid. + A nucleus is the positively charged central portion of an atom, excluding the orbital electrons. - alpha-amino-acid anion + nucleus chebi_ontology - alpha-amino acid anions - alpha-amino-acid anions - CHEBI:33558 + Atomkern + Kern + noyau + noyau atomique + nuclei + nucleo + nucleo atomico + nucleus atomi + CHEBI:33252 - alpha-amino-acid anion + atomic nucleus - + - - + + + + Heavy nuclear particle: proton or neutron. + nucleon chebi_ontology - s-block element - s-block elements - CHEBI:33559 + Nukleon + Nukleonen + nucleons + CHEBI:33253 - s-block element atom + nucleon - + - - + + + A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group. + + + primary amide + primary amides + chebi_ontology + CHEBI:33256 + + primary amide + + + + + + + + + A derivative of two oxoacids RkE(=O)l(OH)m (l =/= 0) in which two acyl groups are attached to the amino or substituted amino group. + + secondary amide + secondary amides + chebi_ontology + CHEBI:33257 + + secondary amide + + + + + + + + + A molecular entity all atoms of which have the same atomic number. + + chebi_ontology + homoatomic entity + homoatomic molecular entities + homoatomic molecular entity + CHEBI:33259 + + elemental molecular entity + + + + + + + + + + An organosulfur compound is a compound containing at least one carbon-sulfur bond. + + + CHEBI:23010 + CHEBI:25714 + Wikipedia:Organosulfur_compounds + organosulfur compound + chebi_ontology + organosulfur compounds + CHEBI:33261 + + organosulfur compound + + + + + + + + + + 0 + N2 + 28.013 + 28.00615 + chebi_ontology + CHEBI:33266 + + diatomic nitrogen + + + + + + + + + + + chebi_ontology + CHEBI:33267 + + elemental nitrogen + + + + + + + + + + An anion consisting of more than one atom. + + chebi_ontology + polyatomic anions + CHEBI:33273 + + polyatomic anion + + + + + + + + + + chebi_ontology + chemical messenger + CHEBI:33280 + + molecular messenger + + + + + + + + + A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. + + CHEBI:22582 + PMID:12964249 + PMID:22117953 + PMID:22439833 + PMID:22849268 + PMID:22849276 + PMID:22958833 + chebi_ontology + Antibiotika + Antibiotikum + antibiotic + antibiotics + antibiotique + antimicrobial + antimicrobial agents + antimicrobials + microbicide + microbicides + CHEBI:33281 + + antimicrobial agent + + + + + + + + + A substance (or active part thereof) that kills or slows the growth of bacteria. + + chebi_ontology + antibacterial agents + antibacterials + bactericide + bactericides + CHEBI:33282 + + antibacterial agent + + + + + + + + + A nutrient is a food component that an organism uses to survive and grow. + + chebi_ontology + nutrients + CHEBI:33284 + + nutrient + + + + + + + + + A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms. + + + chebi_ontology + heteroorganic entities + organoelement compounds + CHEBI:33285 + + heteroorganic entity + + + + + + + + + An agrochemical is a substance that is used in agriculture or horticulture. + + Wikipedia:Agrochemical + chebi_ontology + agrichemical + agrichemicals + agricultural chemicals + agrochemicals + CHEBI:33286 + + agrochemical + + + + + + + + + A fertilizer is any substance that is added to soil or water to assist the growth of plants. + + chebi_ontology + fertiliser + fertilizers + CHEBI:33287 + + fertilizer + + + + + + + + + An energy-rich substance that can be transformed with release of usable energy. + + chebi_ontology + CHEBI:33292 + + fuel + + + + + + + + + A substance administered to aid diagnosis of a disease. + + chebi_ontology + diagnostic aid + CHEBI:33295 + + diagnostic agent + + + + + + + + + Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth. + + pnictogens + chebi_ontology + group 15 elements + group V elements + nitrogenoideos + nitrogenoides + pnictogene + pnictogenes + CHEBI:33300 + + pnictogen + + + + + + + + + + + + + + + A p-block molecular entity containing any pnictogen. + + + pnictogen molecular entity + chebi_ontology + pnictogen molecular entities + CHEBI:33302 + + pnictogen molecular entity + + + + + + + + + Any p-block element belonging to the group 16 family of the periodic table. + + PMID:17084588 + chalcogen + chalcogens + chebi_ontology + Chalkogen + Chalkogene + anfigeno + anfigenos + calcogeno + calcogenos + chalcogene + chalcogenes + group 16 elements + group VI elements + CHEBI:33303 + + chalcogen + + + + + + + + + + + + + + + Any p-block molecular entity containing a chalcogen. + + + chalcogen molecular entity + chebi_ontology + chalcogen compounds + chalcogen molecular entities + CHEBI:33304 + + chalcogen molecular entity + + + + + + + + + + group 14 elements + chebi_ontology + carbon group element + carbon group elements + carbonoides + cristallogene + cristallogenes + group IV elements + CHEBI:33306 + + carbon group element atom + + + + + + + + + + An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl. + An ester of a carboxylic acid. + + + 0 + CO2R2 + 44.010 + 43.98983 + [*]C(=O)O[*] + CHEBI:13204 + CHEBI:23028 + CHEBI:3408 + KEGG COMPOUND:C02391 + KEGG:C02391 + Wikipedia:Ester + Carboxylic ester + carboxylic ester + carboxylic esters + chebi_ontology + CO2R2 + a carboxylic ester + carboxylic acid esters + CHEBI:33308 + + carboxylic ester + + + + + + + + + An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table. + + main group elements + chebi_ontology + Hauptgruppenelement + Hauptgruppenelemente + main group element + CHEBI:33318 + + main group element atom + + + + + + + + + + + + + + + + + + + + + A serine zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-serine. + + 0 + C3H7NO3 + InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 + MTCFGRXMJLQNBG-REOHCLBHSA-N + 105.09262 + 105.04259 + [NH3+][C@@H](CO)C([O-])=O + MetaCyc:SER + (2S)-2-ammonio-3-hydroxypropanoate + L-serine zwitterion + chebi_ontology + L-serine + CHEBI:33384 + + L-serine zwitterion + + + + + + + + + + + chebi_ontology + oxoacids of sulfur + sulfur oxoacids + CHEBI:33402 + + sulfur oxoacid + + + + + + + + + + + + + + + A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons). + + hydracid + chebi_ontology + hydracids + CHEBI:33405 + + hydracid + + + + + + + + + + + + + + + + + chebi_ontology + pnictogen oxoacids + CHEBI:33408 + + pnictogen oxoacid + + + + + + + + + + + sulfur oxoacid derivative + chebi_ontology + sulfur oxoacid derivatives + CHEBI:33424 + + sulfur oxoacid derivative + + + + + + + + + + + -1 + 0.00000 + [*-] + chebi_ontology + monoatomic monoanions + CHEBI:33429 + + monoatomic monoanion + + + + + + + + + + + chebi_ontology + CHEBI:33431 + + elemental chlorine + + + + + + + + + + + 0 + Cl + 35.453 + 34.96885 + chebi_ontology + atomic chlorine + CHEBI:33432 + + monoatomic chlorine + + + + + + + + + + chebi_ontology + monoatomic halogens + CHEBI:33433 + + monoatomic halogen + + + + + + + + + + elemental halogen + chebi_ontology + elemental halogens + CHEBI:33434 + + elemental halogen + + + + + + + + + Arylmethyl groups and derivatives formed by substitution: ArCR2-. + + benzylic group + benzylic groups + chebi_ontology + benzylic groups + groupe benzylique + CHEBI:33452 + + benzylic group + + + + + + + + + + A pnictogen oxoacid which contains phosphorus and oxygen, at least one hydrogen atom bound to oxygen, and forms an ion by the loss of one or more protons. + + phosphorus oxoacid + chebi_ontology + Oxosaeure des Phosphors + oxoacids of phosphorus + phosphorus oxoacids + CHEBI:33457 + + phosphorus oxoacid + + + + + + + + + + + pnictogen oxoanion + chebi_ontology + pnictogen oxoanions + CHEBI:33459 + + pnictogen oxoanion + + + + + + + + + + + + phosphorus oxoanion + chebi_ontology + oxoanions of phosphorus + phosphorus oxoanions + CHEBI:33461 + + phosphorus oxoanion + + + + + + + + + + + + elemental pnictogen + chebi_ontology + elemental pnictogens + CHEBI:33465 + + elemental pnictogen + + + + + + + + + + + sulfur oxoanion + chebi_ontology + oxoanions of sulfur + sulfur oxoanions + CHEBI:33482 + + sulfur oxoanion + + + + + + + + + + + + + + + + + chalcogen oxoacid + chebi_ontology + chalcogen oxoacids + CHEBI:33484 + + chalcogen oxoacid + + + + + + + + + + + chalcogen oxoanion + chebi_ontology + chalcogen oxoanions + CHEBI:33485 + + chalcogen oxoanion + + + + + + + + + A molecular entity containing one or more atoms of a transition element. + + transition element molecular entities + transition metal molecular entity + CHEBI:33497 + transition element molecular entity + + + + + + + + + + + sulfur hydride + chebi_ontology + hydrides of sulfur + sulfur hydrides + sulphur hydrides + CHEBI:33535 + + sulfur hydride + + + + + + + + + + + + + + + The sulfur oxoanion formed by deprotonation of sulfonic acid. + + -1 + HO3S + InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1 + BDHFUVZGWQCTTF-UHFFFAOYSA-M + 81.07214 + 80.96519 + [H]S([O-])(=O)=O + Gmelin:971569 + hydridotrioxidosulfate(1-) + chebi_ontology + SHO3(-) + [SHO3](-) + sulfonates + CHEBI:33543 + + sulfonate + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An organic derivative of sulfonic acid in which the sulfo group is linked directly to carbon. + + 0 + HO3SR + 81.07100 + 80.96464 + OS([*])(=O)=O + chebi_ontology + organosulfonic acids + sulfonic acids + CHEBI:33551 + + organosulfonic acid + + + + + + + + + + + + + + + + sulfonic acid derivative + chebi_ontology + derivatives of sulfonic acid + sulfonic acid derivatives + CHEBI:33552 + + sulfonic acid derivative + + + + + + + + + + + + + + + + + + + + + An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid. + + -1 + O3SR + 80.064 + 79.95681 + *S([O-])(=O)=O + chebi_ontology + organosulfonate + organosulfonate oxoanions + organosulfonates + CHEBI:33554 + + organosulfonate oxoanion + + + + + + + + + + + + + + + An amino-acid anion obtained by deprotonation of any alpha-amino acid. + + alpha-amino-acid anion + chebi_ontology + alpha-amino acid anions + alpha-amino-acid anions + CHEBI:33558 + + alpha-amino-acid anion + + + + + + + + + + chebi_ontology + s-block element + s-block elements + CHEBI:33559 + + s-block element atom + + + + + + + + Any main group element atom belonging to the p-block of the periodic table. chebi_ontology @@ -48105,6 +59129,35 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + CHEBI:22705 + CHEBI:22711 + chebi_ontology + CHEBI:33570 + + benzenediols + + + + + + + + + Any benzenediol in which the two hydroxy groups are meta to one another. + + chebi_ontology + CHEBI:33572 + + resorcinols + + + + @@ -48162,6 +59215,24 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + Any carboxylic acid having a sulfur substituent. + + chebi_ontology + S-containing carboxylic acid + S-containing carboxylic acids + sulfur-containing carboxylic acids + CHEBI:33576 + + sulfur-containing carboxylic acid + + + + @@ -48335,6 +59406,22 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A polycyclic compound in which two rings have two, and only two, atoms in common. Such compounds have n common faces and 2n common atoms. + + ortho-fused polycyclic compounds + chebi_ontology + ortho-fused compounds + CHEBI:33637 + + ortho-fused compound + + + + @@ -48499,15 +59586,31 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p - + - - - + + + - - heteromonocyclic compound - heteromonocyclic compounds + polycyclic hydrocarbon + polycyclic hydrocarbons + chebi_ontology + CHEBI:33666 + + polycyclic hydrocarbon + + + + + + + + + + + + heteromonocyclic compound + heteromonocyclic compounds chebi_ontology CHEBI:33670 @@ -48704,6 +59807,25 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + chebi_ontology + canonical amino-acid residue + canonical amino-acid residues + common amino acid residues + proteinogenic amino-acid residues + standard amino acid residues + standard amino-acid residues + CHEBI:33700 + + proteinogenic amino-acid residue + + + + @@ -48778,6 +59900,28 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + A non-proteinogenic amino-acid in which the amino group is located on the carbon atom at the position gamma to the carboxy group. + + gamma-amino acid + chebi_ontology + gamma-amino acids + CHEBI:33707 + + gamma-amino acid + + + + @@ -48833,6 +59977,84 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + chebi_ontology + alpha-amino-acid residues + CHEBI:33710 + + alpha-amino-acid residue + + + + + + + + + The residue in a peptide that has a free carboxyl group, or at least does not acylate another amino-acid residue, is called C-terminal. + + C-terminal amino-acid residue + C-terminal residue + chebi_ontology + C-terminal amino-acid residues + carboxyl-terminal residue + CHEBI:33711 + + C-terminal amino-acid residue + + + + + + + + + + Any C-terminal amino-acid residue derived from an alpha-amino-acid. + + chebi_ontology + C-terminal alpha-amino-acid residues + CHEBI:33713 + + C-terminal alpha-amino-acid residue + + + + + + + + + + + + + + + + Any C-terminal alpha-amino-acid residue derived from a proteinogenic amino acid. + + chebi_ontology + C-terminal canonical amino-acid residue + C-terminal canonical amino-acid residues + C-terminal proteinogenic amino-acid residues + CHEBI:33717 + + C-terminal proteinogenic amino-acid residue + + + + @@ -48892,6 +60114,108 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + chebi_ontology + canonical amino-acid residue cation + canonical amino-acid residue cations + proteinogenic amino-acid residue cations + CHEBI:33727 + + proteinogenic amino-acid residue cation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug. + Reference: PMID: 9187274 + + 0 + C9H15NO3S + InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 + FAKRSMQSSFJEIM-RQJHMYQMSA-N + 217.28500 + 217.07726 + C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O + Beilstein:477887 + CAS:62571-86-2 + DrugBank:DB01197 + Drug_Central:484 + KEGG:D00251 + LINCS:LSM-5648 + PMID:23137627 + PMID:23161035 + PMID:23278692 + PMID:23299024 + PMID:23328620 + PMID:23397376 + PMID:23410042 + PMID:23422724 + PMID:23429803 + PMID:23435971 + PMID:2420897 + Patent:US4046889 + Patent:US4105776 + Wikipedia:Captopril + 1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline + chebi_ontology + (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid + Acepress + Apopril + CP + Capoten + Captolane + Captopryl + Captoril + Cesplon + D-2-methyl-3-mercaptopropanoyl-L-proline + D-3-mercapto-2-methylpropanoyl-L-proline + Dilabar + Garranil + Hypertil + L-Captopril + Lopirin + Tenosbon + TensoboInOwln + Tensoprel + captopril + captoprilum + CHEBI:3380 + + captopril + + + + @@ -48990,6 +60314,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p CHEBI:7647 KEGG COMPOUND:C00801 KEGG:C00801 + Wikipedia:Nucleoside Nucleoside nucleoside nucleosides @@ -49237,6 +60562,40 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + A polycyclic aromatic hydrocarbon. + + PMID:15198916 + PMID:25679824 + Wikipedia:Polycyclic_aromatic_hydrocarbon + chebi_ontology + PAH + PAHs + polycyclic arenes + polycyclic aromatic hydrocarbons + CHEBI:33848 + + polycyclic arene + + + + @@ -49502,6 +60861,145 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A quaternary ammonium ion that is the the conjugate acid of carnitine. + + +1 + C7H16NO3 + InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1 + PHIQHXFUZVPYII-UHFFFAOYSA-O + 162.20688 + 162.11247 + C[N+](C)(C)CC(O)CC(O)=O + CAS:406-76-8 + CAS:461-06-3 + KEGG:C00487 + 3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium + chebi_ontology + 3-hydroxy-4-(trimethylammonio)butanoic acid + Carnitine + CHEBI:3424 + + carnitinium + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals. + + 0 + C23H34O5 + InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 + AJLFOPYRIVGYMJ-INTXDZFKSA-N + 390.51310 + 390.24062 + CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 + CAS:73573-88-3 + DrugBank:DB06693 + KEGG:C13963 + KNApSAcK:C00000564 + LINCS:LSM-4123 + PMID:11283400 + PMID:12403272 + PMID:15274361 + PMID:15531285 + PMID:15786722 + PMID:18672387 + PMID:18936176 + PMID:20629200 + PMID:23918904 + PMID:24462564 + PMID:3170348 + PMID:3719857 + Patent:DE2524355 + Patent:US3983140 + Reaxys:3630717 + Wikipedia:Mevastatin + (1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate + Mevastatin + mevastatin + chebi_ontology + CS 500 + Compactin + ML 236 B + ML-236B + antibiotic ML 236B + mevastatin + mevastatina + mevastatine + mevastatinum + CHEBI:34848 + + mevastatin + + + + @@ -49982,6 +61480,147 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 0 + C3H7NO2S + InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 + XUJNEKJLAYXESH-REOHCLBHSA-N + 121.15922 + 121.01975 + [NH3+][C@@H](CS)C([O-])=O + Gmelin:49993 + (2R)-2-ammonio-3-sulfanylpropanoate + L-cysteine zwitterion + chebi_ontology + (2R)-2-ammonio-3-mercaptopropanoate + L-cysteine + CHEBI:35235 + + L-cysteine zwitterion + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 0 + C3H7NO2S + InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1 + XUJNEKJLAYXESH-UWTATZPHSA-N + 121.15922 + 121.01975 + [NH3+][C@H](CS)C([O-])=O + Gmelin:2352354 + (2S)-2-ammonio-3-sulfanylpropanoate + D-cysteine zwitterion + chebi_ontology + (2S)-2-ammonio-3-mercaptopropanoate + D-cysteine + CHEBI:35236 + + D-cysteine zwitterion + + + + + + + + + + + + + + + + + + + + + + + + + + + + 0 + C3H7NO2S + InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) + XUJNEKJLAYXESH-UHFFFAOYSA-N + 121.15922 + 121.01975 + [NH3+]C(CS)C([O-])=O + Gmelin:49992 + 2-ammonio-3-sulfanylpropanoate + cysteine zwitterion + chebi_ontology + (+)H3N-CH(CH2SH)-COO(-) + 2-ammonio-3-mercaptopropanoate + CHEBI:35237 + + cysteine zwitterion + + + + @@ -50080,6 +61719,39 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + A derivative of ammonium, NH4(+), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups. + + +1 + NR4 + 14.00670 + 14.00307 + [*][N+]([*])([*])[*] + CHEBI:26470 + CHEBI:8693 + KEGG:C06703 + quaternary ammonium ion + chebi_ontology + Quaternary amine + quaternary ammonium + quaternary ammonium ions + CHEBI:35267 + + quaternary ammonium ion + + + + @@ -50104,6 +61776,38 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Neutral molecules having charge-separated forms with an onium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom. + + betaines + chebi_ontology + onium betaines + CHEBI:35281 + + onium betaine + + + + + + + + + + Any neutral molecule having charge-separated forms with a quaternary ammonium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom. + + chebi_ontology + ammonium betaines + CHEBI:35284 + + ammonium betaine + + + + @@ -50121,6 +61825,24 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + chebi_ontology + fused compounds + fused polycyclic compounds + fused-ring polycyclic compound + fused-ring polycyclic compounds + polycyclic fused-ring compounds + CHEBI:35293 + + fused compound + + + + @@ -50152,6 +61874,44 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + chebi_ontology + ortho-fused polycyclic arenes + CHEBI:35296 + + ortho-fused polycyclic arene + + + + + + + + + + A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement. + + 0 + C10H8.(C4H2)n + Wikipedia:Acene + acene + acenes + chebi_ontology + Acen + Azen + polyacenes + CHEBI:35297 + + acene + + + + @@ -50467,7 +62227,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p - Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. + Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. Natural fatty acids commonly have a chain of 4 to 28 carbons (usually unbranched and even-numbered), which may be saturated or unsaturated. By extension, the term is sometimes used to embrace all acyclic aliphatic carboxylic acids. 0 CHO2R @@ -50522,6 +62282,52 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + An alpha-amino-acid anion that is the conjugate base of aspartic acid. + + -1 + C4H6NO4 + InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1 + CKLJMWTZIZZHCS-UHFFFAOYSA-M + 132.09478 + 132.03023 + [NH3+]C(CC([O-])=O)C([O-])=O + CHEBI:22659 + CHEBI:29992 + aspartate(1-) + hydrogen aspartate + chebi_ontology + 2-ammoniobutanedioate + 2-ammoniosuccinate + aspartic acid monoanion + CHEBI:35391 + + aspartate(1-) + + + + @@ -50579,6 +62385,50 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any alpha-amino-acid residue that is positively charged. + + chebi_ontology + alpha-amino-acid residue cations + CHEBI:35415 + + alpha-amino-acid residue cation + + + + + + + + + + chebi_ontology + alpha-amino-acid residue anions + CHEBI:35416 + + alpha-amino-acid residue anion + + + + + + + + + + ortho-fused polycyclic hydrocarbon + chebi_ontology + ortho-fused polycyclic hydrocarbons + CHEBI:35427 + + ortho-fused polycyclic hydrocarbon + + + + @@ -50903,6 +62753,23 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Antimanic drugs are agents used to treat bipolar disorders or mania associated with other affective disorders. + + chebi_ontology + antimanic agent + antimanic drugs + antimanics + CHEBI:35477 + + antimanic drug + + + + @@ -50932,6 +62799,25 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood. + + chebi_ontology + narcotic + narcotic analgesic + narcotic analgesics + narcotics + opioid analgesics + CHEBI:35482 + + opioid analgesic + + + + @@ -51061,6 +62947,30 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A drug which lowers the blood glucose level. + + chebi_ontology + antidiabetic + antihyperglycemic + antihyperglycemic agent + antihyperglycemic agents + antihyperglycemic drug + antihyperglycemic drugs + antihyperglycemics + hypoglycemic agents + hypoglycemic drug + hypoglycemic drugs + CHEBI:35526 + + hypoglycemic agent + + + + @@ -51242,6 +63152,21 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + N-oxide + chebi_ontology + N-oxides + CHEBI:35580 + + N-oxide + + + + @@ -51488,6 +63413,88 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + chebi_ontology + thiazolidine + CHEBI:35622 + + thiazolidines + + + + + + + + + A drug used to prevent seizures or reduce their severity. + + chebi_ontology + Antiepileptika + Antiepileptikum + Antikonvulsiva + Antikonvulsivum + anti-convulsant + anti-convulsants + anti-convulsive agent + anti-convulsive agents + anticonvulsants + anticonvulsive agent + anticonvulsive agents + antiepileptic + antiepileptics + antiepileptique + antiepileptiques + CHEBI:35623 + + anticonvulsant + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 9144641 + + 0 + C18H22N2O + InChI=1S/C18H22N2O/c1-2-4-16-14(3-1)15-5-7-20-10-13-11-21-8-6-12(13)9-17(20)18(15)19-16/h1-4,12-13,17,19H,5-11H2/t12-,13+,17-/m0/s1 + GAGIJETXYAHUIP-AHIWAGSCSA-N + 282.38016 + 282.17321 + [H][C@@]12CCOC[C@@]1([H])CN1CCc3c([nH]c4ccccc34)[C@]1([H])C2 + 18-oxayohimban + chebi_ontology + (4aR,13bS,14aR)-1,2,4a,5,7,8,13,13b,14,14a-decahydro-4H-indolo[2,3-a]pyrano[3,4-g]quinolizine + oxayohimban + CHEBI:35638 + + 18-oxayohimban + + + + @@ -51572,6 +63579,28 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that inhibits HMG-CoA reductases. Hydroxymethylglutaryl-CoA reductase inhibitors have been shown to lower directly cholesterol synthesis. The Enzyme Commission designation is EC 1.1.1.34 for the NADPH-dependent enzyme and EC 1.1.1.88 for an NADH-dependent enzyme. + + PMID:1464741 + PMID:15531285 + PMID:20467214 + Wikipedia:HMG-CoA_reductase + chebi_ontology + HMG-CoA reductase inhibitor + HMG-CoA reductase inhibitors + hydroxymethylglutaryl-CoA reductase inhibitor + hydroxymethylglutaryl-CoA reductase inhibitors + CHEBI:35664 + + EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor + + + + @@ -51609,6 +63638,42 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A substance used to treat hyperlipidemia (an excess of lipids in the blood). + + Wikipedia:Hypolipidemic_agent + chebi_ontology + antihyperlipemic + antihyperlipemics + antihyperlipidaemic agent + antihyperlipidaemic agents + antihyperlipidaemic drug + antihyperlipidaemic drugs + antihyperlipidemic + antihyperlipidemic agent + antihyperlipidemic agents + antihyperlipidemic drug + antihyperlipidemic drugs + antihyperlipidemics + antilipemic + antilipemic drugs + antilipemics + hypolipidemic agent + hypolipidemic agents + lipid-lowering agent + lipid-lowering agents + lipid-lowering drug + lipid-lowering drugs + CHEBI:35679 + + antilipemic drug + + + + @@ -51656,6 +63721,54 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + Any carboxylic acid containing two carboxy groups. + + CHEBI:23692 + CHEBI:36172 + CHEBI:4501 + KEGG:C02028 + Dicarboxylic acid + chebi_ontology + dicarboxylic acids + CHEBI:35692 + + dicarboxylic acid + + + + + + + + + + + + + + + + dicarboxylic acid anion + chebi_ontology + dicarboxylic acid anions + CHEBI:35693 + + dicarboxylic acid anion + + + + @@ -51718,6 +63831,49 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + A compound having a nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied). + + nitro compounds + chebi_ontology + CHEBI:35715 + + nitro compound + + + + + + + + + + + + + + + + A nitro compound having the nitro group (-NO2) attached to a carbon atom. + + C-nitro compounds + chebi_ontology + CHEBI:35716 + + C-nitro compound + + + + @@ -51774,6 +63930,62 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + CHEBI:13210 + CHEBI:23691 + CHEBI:6976 + KEGG:C04131 + chebi_ontology + dicarboxylic acid monoamides + CHEBI:35735 + + dicarboxylic acid monoamide + + + + + + + + + + + + + + + + A carboxylic ester in which the carboxylic acid component can be any fatty acid. + + 0 + CO2R2 + 44.00950 + 43.98983 + [*]OC([*])=O + CHEBI:27315 + CHEBI:35747 + CHEBI:78205 + chebi_ontology + FAEE + a fatty acid ester + fatty acid esters + CHEBI:35748 + + fatty acid ester + + + + @@ -51895,6 +64107,23 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom. + + oxazole + chebi_ontology + oxazoles + CHEBI:35790 + + oxazole + + + + @@ -51911,6 +64140,36 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + Any fatty acid in which the parent hydrocarbon chain has one or more alkyl substituents; a common component in animal and bacterial lipids. The fatty acyl chain is usually saturated and the substituent a methyl group; however, unsaturated BCFAs are found in marine animals, and branches other than methyl are found in microbial lipids. + + CHEBI:22919 + CHEBI:3166 + KEGG:C05996 + PMID:18318842 + chebi_ontology + BCFA + BCFAs + Branched chain fatty acid + branched fatty acid + branched fatty acids + branched-chain fatty acids + CHEBI:35819 + + branched-chain fatty acid + + + + @@ -51930,6 +64189,36 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A substance used to lower plasma cholesterol levels. + + CHEBI:64906 + chebi_ontology + anticholesteremic + anticholesteremic agent + anticholesteremic drugs + antihypercholesterolemic + antihypercholesterolemic agent + antihypercholesterolemic agents + antihypercholesterolemic drug + antihypercholesterolemic drugs + antihypercholesterolemics + cholesterol inhibitor + cholesterol-lowering agent + cholesterol-lowering agents + cholesterol-lowering drug + cholesterol-lowering drugs + hypocholesteremic agent + CHEBI:35821 + + anticholesteremic drug + + + + @@ -51947,6 +64236,21 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A drug that increases uric acid excretion by the kidney (uricosuric drug), decreases uric acid production (antihyperuricemic), or alleviates the pain and inflammation of acute attacks of gout. + + chebi_ontology + gout suppressants + CHEBI:35845 + + gout suppressant + + + + @@ -52035,6 +64339,47 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + A hydroxy monocarboxylic acid that has a hydroxy group beta to the carboxy group. + + chebi_ontology + 3-hydroxy acid + 3-hydroxy monocarboxylic acids + beta-hydroxy acid + beta-hydroxy acids + beta-hydroxy carboxylic acid + beta-hydroxy carboxylic acids + CHEBI:35969 + + 3-hydroxy monocarboxylic acid + + + + + + + + + + + + + + + Any amino acid carrying two amino groups. + + chebi_ontology + CHEBI:35987 + + diamino acid + + + + @@ -53158,6 +65503,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + An organochlorine compound is a compound containing at least one carbon-chlorine bond. @@ -53185,6 +65531,36 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + A compound containing at least one carbon-halogen bond. + + organohalogen compounds + CHEBI:36684 + organohalogen compound + + + + + + + + + + A carboxylic acid containing at least one chloro group. + + chebi_ontology + chlorocarboxylic acids + CHEBI:36685 + + chlorocarboxylic acid + + + + @@ -53312,6 +65688,22 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + Compounds containing a tetralin skeleton. + + chebi_ontology + 1,2,3,4-tetrahydronaphthalenes + CHEBI:36786 + + tetralins + + + + @@ -53745,6 +66137,66 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + A methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria. + + 0 + C5H10O2 + InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7) + WLAMNBDJUVNPJU-UHFFFAOYSA-N + 102.13170 + 102.06808 + CCC(C)C(O)=O + Beilstein:1098537 + CAS:116-53-0 + DrugBank:DB03741 + HMDB:HMDB0002176 + KEGG:C18319 + LIPID_MAPS_instance:LMFA01020072 + PMID:15615815 + PMID:16751541 + PMID:18828792 + PMID:22202876 + PMID:3372640 + Reaxys:1098537 + 2-Methylbutyric acid + 2-methylbutanoic acid + 2-methylbutyric acid + chebi_ontology + 2-methybutyric acid + alpha-methyl butyric acid + alpha-methylbutyric acid + butane-2-carboxylic acid + ethylmethylacetic acid + methylethylacetic acid + CHEBI:37070 + + 2-methylbutyric acid + + + + @@ -53817,6 +66269,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + An organofluorine compound is a compound containing at least one carbon-fluorine bond. @@ -54034,6 +66487,89 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions. + Reference: PMID: 22711801 + + 0 + C21H26ClNO + InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1 + YNNUSGIPVFPVBX-NHCUHLMSSA-N + 343.89000 + 343.17029 + [H][C@@]1(CCCN1C)CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 + CHEBI:569763 + Beilstein:6486432 + CAS:15686-51-8 + DrugBank:DB00283 + Drug_Central:671 + KEGG:C06913 + KEGG:D03535 + LINCS:LSM-2655 + PMID:18788725 + Patent:GB942152 + Wikipedia:Clemastine + (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine + Clemastine + chebi_ontology + (+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine + (+)-(2R)-2-[2-[[(R)-p-chloro-alpha-methyl-alpha-phenylbenzyl]oxy]ethyl]-1-methylpyrrolidine + clemastina + clemastine + clemastinum + CHEBI:3738 + + clemastine + + + + @@ -54055,6 +66591,33 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + A group of heterocyclic compounds based on the pteroic acid skeleton conjugated with one or more L-glutamic acid units. + + CHEBI:24074 + CHEBI:24076 + folates + chebi_ontology + folate + folates + CHEBI:37445 + + folic acids + + + + @@ -54369,6 +66932,22 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + chebi_ontology + indolocarbazole alkaloids + indolocarbazoles + CHEBI:37697 + + indolocarbazole alkaloid + + + + @@ -54453,6 +67032,50 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8). + + chebi_ontology + BChE inhibitor + BChE inhibitors + BtChoEase inhibitor + BtChoEase inhibitors + EC 3.1.1.8 (cholinesterase) inhibitors + EC 3.1.1.8 inhibitor + EC 3.1.1.8 inhibitors + anticholineesterase inhibitor + anticholineesterase inhibitors + anticholinesterase + anticholinesterases + benzoylcholinesterase inhibitor + benzoylcholinesterase inhibitors + butyrylcholine esterase inhibitor + butyrylcholine esterase inhibitors + butyrylcholinesterase inhibitor + butyrylcholinesterase inhibitors + choline esterase II (unspecific) inhibitor + choline esterase II (unspecific) inhibitors + choline esterase inhibitor + choline esterase inhibitors + cholinesterase (EC 3.1.1.8) inhibitor + cholinesterase (EC 3.1.1.8) inhibitors + cholinesterase inhibitor + non-specific cholinesterase inhibitor + non-specific cholinesterase inhibitors + propionylcholinesterase inhibitor + propionylcholinesterase inhibitors + pseudocholinesterase inhibitor + pseudocholinesterase inhibitors + CHEBI:37733 + + EC 3.1.1.8 (cholinesterase) inhibitor + + + + @@ -54468,6 +67091,59 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + A straight chain alkane composed of 4 carbon atoms. + + 0 + C4H10 + InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3 + IJDNQMDRQITEOD-UHFFFAOYSA-N + 58.12220 + 58.07825 + CCCC + CHEBI:22945 + CHEBI:25462 + CHEBI:44430 + Beilstein:969129 + CAS:106-97-8 + Gmelin:1148 + PDBeChem:NBU + PMID:24179026 + Reaxys:969129 + Wikipedia:Butane + butane + chebi_ontology + E 943a + E-943a + E943a + N-BUTANE + R-600 + n-Butan + n-C4H10 + n-butane + CHEBI:37808 + + butane + + + + @@ -54535,6 +67211,18 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + @@ -54824,6 +67512,25 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any of a class of cyclic chemical compounds that contain an unsaturated six-membered ring with one ring oxygen atom and an oxo substituent. + + pyranone + chebi_ontology + oxopyrans + pyranones + pyrone + pyrones + CHEBI:37963 + + pyranone + + + + @@ -55011,6 +67718,30 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate. + + CHEBI:23090 + CHEBI:3585 + CHEBI:6789 + KEGG:C00917 + KEGG:C02169 + chebi_ontology + Chelating agent + Metal chelator + chelating agents + chelators + complexon + CHEBI:38161 + + chelator + + + + @@ -55039,6 +67770,20 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + chebi_ontology + organic heterooctacyclic compounds + CHEBI:38165 + + organic heterooctacyclic compound + + + + @@ -55087,6 +67832,20 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + chebi_ontology + phenylpyridines + CHEBI:38193 + + phenylpyridine + + + + @@ -55162,6 +67921,62 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + An alpha-amino acid that is butanoic acid substituted by an amino group at position 2 and a hydroxy group at position 3. + + 0 + C4H9NO3 + InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) + AYFVYJQAPQTCCC-UHFFFAOYSA-N + 119.11920 + 119.05824 + CC(O)C(N)C(O)=O + Beilstein:1098902 + 2-amino-3-hydroxybutanoic acid + chebi_ontology + CHEBI:38263 + + 2-amino-3-hydroxybutanoic acid + + + + + + + + + + A branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2. + + 0 + C6H13NO2 + InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) + AGPKZVBTJJNPAG-UHFFFAOYSA-N + 131.17296 + 131.09463 + CCC(C)C(N)C(O)=O + CAS:443-79-8 + KEGG:C16434 + PMID:10944265 + Reaxys:1721790 + 2-amino-3-methylpentanoic acid + chebi_ontology + CHEBI:38264 + + 2-amino-3-methylpentanoic acid + + + + @@ -55176,6 +67991,20 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + chebi_ontology + CHEBI:38298 + + benzodioxoles + + + + @@ -55300,6 +68129,46 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. + + Wikipedia:Acetylcholinesterase_inhibitor + chebi_ontology + AChEI + AcCholE inhibitor + AcCholE inhibitors + EC 3.1.1.7 (acetylcholinesterase) inhibitors + EC 3.1.1.7 inhibitor + EC 3.1.1.7 inhibitors + acetyl.beta-methylcholinesterase inhibitor + acetyl.beta-methylcholinesterase inhibitors + acetylcholine acetylhydrolase inhibitor + acetylcholine acetylhydrolase inhibitors + acetylcholine esterase inhibitor + acetylcholine hydrolase inhibitor + acetylcholine hydrolase inhibitors + acetylcholinesterase (EC 3.1.1.7) inhibitor + acetylcholinesterase (EC 3.1.1.7) inhibitors + acetylcholinesterase inhibitor + acetylcholinesterase inhibitors + acetylthiocholinesterase inhibitor + acetylthiocholinesterase inhibitors + choline esterase I inhibitor + choline esterase I inhibitors + cholinesterase inhibitor + cholinesterase inhibitors + true cholinesterase inhibitor + true cholinesterase inhibitors + CHEBI:38462 + + EC 3.1.1.7 (acetylcholinesterase) inhibitor + + + + @@ -55510,6 +68379,37 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives. + + chebi_ontology + CHEBI:38530 + + quinazolines + + + + + + + + + Compounds having the structure R2C=NNR2, formally derived from aldehydes or ketones by replacing =O by =NNH2 (or substituted analogues). + + hydrazones + chebi_ontology + hydrazones + CHEBI:38532 + + hydrazone + + + + @@ -55566,6 +68466,22 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + CHEBI:22503 + CHEBI:24792 + chebi_ontology + aminoalkylindoles + CHEBI:38631 + + aminoalkylindole + + + + @@ -55603,6 +68519,75 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + A methyl-branched fatty acid comprising a butyric acid core carrying a single methyl substituent. + + 0 + C5H10O2 + 102.132 + 102.06808 + PMID:13105653 + methylbutanoic acid + chebi_ontology + CHEBI:38653 + + methylbutyric acid + + + + + + + + + + + + + + + + + + + + + The (S)-enantiomer of 2-methylbutanoic acid. + + 0 + C5H10O2 + InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1 + WLAMNBDJUVNPJU-BYPYZUCNSA-N + 102.13170 + 102.06808 + CC[C@H](C)C(O)=O + Beilstein:1720485 + Beilstein:3648078 + CAS:1730-91-2 + Gmelin:532948 + PMID:2026560 + (2S)-2-methylbutanoic acid + chebi_ontology + (S)-2-methylbutanoic acid + (S)-alpha-methylbutanoic acid + CHEBI:38655 + + (S)-2-methylbutyric acid + + + + @@ -55618,6 +68603,27 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + Any flavonoid with a 3,4-dihydro-2-aryl-2H-1-benzopyran skeleton and its substituted derivatives. + + 0 + C15OR14 + 196.160 + 195.99491 + [*]c1c([*])c([*])c(c([*])c1[*])C1([*])Oc2c([*])c([*])c([*])c([*])c2C([*])([*])C1([*])[*] + chebi_ontology + CHEBI:38672 + + flavans + + + + @@ -55635,6 +68641,22 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any dianion containing at least one carboxy group. + + carboxylic acid dianion + chebi_ontology + carboxylic acid dianions + CHEBI:38716 + + carboxylic acid dianion + + + + @@ -55651,6 +68673,49 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any hydroxyflavanone carrying two hydroxy substituents. + + chebi_ontology + dihydroxyflavanones + CHEBI:38749 + + dihydroxyflavanone + + + + + + + + + + + chebi_ontology + CHEBI:38769 + + indazoles + + + + + + + + + + + chebi_ontology + CHEBI:38777 + + azetidines + + + + @@ -55900,6 +68965,56 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A chloropyridine in which only one chlorine is attached to the pyridine ring. + + 0 + C5H4ClN + 113.545 + 113.00323 + chloropyridine + chebi_ontology + CHEBI:39172 + + monochloropyridine + + + + + + + + + + Compounds containing a pyridine nucleus substituted with one or more chlorine atoms. + + chebi_ontology + chloropyridines + CHEBI:39173 + + chloropyridine + + + + + + + + + + + chebi_ontology + dibenzopyrroles + CHEBI:39205 + + dibenzopyrrole + + + + @@ -55953,6 +69068,55 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + Any saturated fatty acid with a carbon side-chain or isopropyl termination. + + branched-chain saturated fatty acid + chebi_ontology + branched saturated fatty acid + branched saturated fatty acids + branched-chain saturated fatty acids + CHEBI:39417 + + branched-chain saturated fatty acid + + + + + + + + + + + + + + + + Any saturated fatty acid lacking a side-chain. + + PMID:15644336 + straight-chain saturated fatty acid + chebi_ontology + straight-chain saturated fatty acids + CHEBI:39418 + + straight-chain saturated fatty acid + + + + @@ -55985,6 +69149,42 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + A carnitinium that is the conjugate acid of (R)-carnitine. + + +1 + C7H16NO3 + InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m1/s1 + PHIQHXFUZVPYII-ZCFIWIBFSA-O + 162.20688 + 162.11247 + C[N+](C)(C)C[C@H](O)CC(O)=O + PDBeChem:152 + (2R)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium + chebi_ontology + CARNITINE + CHEBI:39547 + + (R)-carnitinium + + + + @@ -56032,6 +69232,149 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem. + Reference: PMID: 11742974 + + 0 + C8H16O2 + InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) + NIJJYAXOARWZEE-UHFFFAOYSA-N + 144.21140 + 144.11503 + CCCC(CCC)C(O)=O + CHEBI:115217 + CHEBI:39858 + CHEBI:9926 + Beilstein:1750447 + CAS:99-66-1 + DrugBank:DB00313 + Drug_Central:2803 + HMDB:HMDB0001877 + KEGG:C07185 + KEGG:D00399 + LINCS:LSM-4620 + LIPID_MAPS_instance:LMFA01020291 + PDBeChem:2PP + PMID:11716839 + PMID:12475192 + PMID:15124690 + PMID:15560954 + PMID:15578701 + PMID:16496131 + PMID:16621443 + PMID:16759735 + PMID:17156483 + PMID:17273758 + PMID:19280426 + PMID:19318486 + PMID:23792104 + PMID:23810771 + PMID:23949302 + PMID:24135375 + PMID:24200999 + PMID:24348849 + PMID:8558327 + PMID:8681902 + Reaxys:1750447 + Wikipedia:Valproic_Acid + 2-propylpentanoic acid + VALPROIC ACID + chebi_ontology + 2-PROPYL-PENTANOIC ACID + 2-n-propyl-n-valeric acid + 2-propylpentanoic acid + 2-propylvaleric acid + 4-heptanecarboxylic acid + DPA + Depakene + Di-n-propylessigsaeure + VPA + Valproinsaeure + acide valproique + acido valproico + acidum valproicum + di-n-propylacetic acid + dipropylacetic acid + n-DPA + valproic acid + CHEBI:39867 + + valproic acid + + + + @@ -56048,6 +69391,113 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom). + Reference: PMID: 6933445 + + 0 + C24H36O5 + InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1 + PCZOHLXUXFIOCF-BXMDZJJMSA-N + 404.53964 + 404.25627 + [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC + CHEBI:40299 + CHEBI:6544 + Beilstein:3631989 + CAS:75330-75-5 + DrugBank:DB00227 + Drug_Central:1612 + HMDB:HMDB0014372 + KEGG:C07074 + KEGG:D00359 + KNApSAcK:C00000547 + LINCS:LSM-2189 + PDBeChem:803 + PMID:11375168 + PMID:11389707 + PMID:11483865 + PMID:18642339 + PMID:24093797 + PMID:7720768 + Patent:CN103172602 + Patent:WO2013090461 + Reaxys:4720754 + Wikipedia:Lovastatin + (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate + LOVASTATIN + Lovastatin + lovastatin + chebi_ontology + (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate + 2beta,6alpha-dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone + 6alpha-methylcompactin + MK-803 + ML-530B + Mevacor + Mevinolin + CHEBI:40303 + + lovastatin + + + + @@ -56100,6 +69550,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -56166,6 +69622,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p Beilstein:3647785 CAS:59865-13-3 ChemIDplus:59865-13-3 + Chemspider:4447449 CiteXplore:11058832 CiteXplore:11069928 CiteXplore:11079273 @@ -56241,6 +69698,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p CiteXplore:19589783 DrugBank:DB00091 Drug_Central:760 + HMDB:HMDB0250682 KEGG COMPOUND:59865-13-3 KEGG COMPOUND:C05086 KEGG DRUG:D00184 @@ -56248,6 +69706,8 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p KEGG:D00184 KNApSAcK:C00001517 LINCS:LSM-1703 + LIPID_MAPS_instance:LMPK14000003 + MetaCyc:CPD-20532 PMID:11058832 PMID:11069928 PMID:11079273 @@ -56323,12 +69783,17 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p PMID:19589783 PMID:21752960 PMID:23620378 + PMID:24134630 + PMID:31144214 + PMID:34561200 + PMID:34561814 Patent:US4117118 Reaxys:3647785 VSDB:1765 Wikipedia:Ciclosporin 30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Cyclosporin A + cyclosporin A chebi_ontology (R-[R*,R*-(E)])-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl) 1,11-cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(E)-(2S,3R,4R)-2-amino-3-hydroxy-N,4-dimethyloct-6-enoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine] @@ -56356,6 +69821,37 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + 0 + C2H3O2 + 59.04402 + 59.01330 + O=C(C*)O + CHEBI:23029 + CHEBI:41396 + PDBeChem:ACY + CARBOXYMETHYL GROUP + carboxymethyl + chebi_ontology + -CH2-COOH + aspartic acid side-chain + CHEBI:41402 + + carboxymethyl group + + + + @@ -56766,6 +70262,149 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A natural product found in Actinomadura roseola. + Reference: PMID: 9647783 + + 0 + C27H29NO10 + InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1 + STQGQHZAVUOBTE-VGBVRHCVSA-N + 527.51990 + 527.17915 + COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O + CHEBI:23560 + CHEBI:41970 + CHEBI:4330 + CHEBI:65723 + Beilstein:1445583 + CAS:20830-81-3 + DrugBank:DB00694 + Drug_Central:786 + KEGG:C01907 + KEGG:D07776 + LINCS:LSM-2962 + LIPID_MAPS_instance:LMPK13050002 + PDBeChem:DM1 + PMID:10820108 + PMID:23414337 + PMID:23900905 + PMID:24396448 + Reaxys:1445583 + Wikipedia:Daunorubicin + (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside + Daunorubicin + chebi_ontology + (+)-daunomycin + (8S-cis)-8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyrannosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-napthacenedione + DAUNOMYCIN + Daunomycin + acetyladriamycin + daunorubicin + daunorubicinum + leukaemomycin C + CHEBI:41977 + + daunorubicin + + + + + + + + + + + + + + + + + + + + + + + A monohydroxybenzoic acid that is 2-hydroxybenzoic acid (salicylic acid) in which the hydrogen at position 5 is replaced by chlorine. + + 0 + C7H5ClO3 + InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11) + NKBASRXWGAGQDP-UHFFFAOYSA-N + 172.56600 + 171.99272 + OC(=O)c1cc(Cl)ccc1O + AGR:IND43635496 + Beilstein:2046665 + CAS:321-14-2 + Gmelin:561203 + PMID:1650428 + PMID:18819808 + PMID:1944396 + PMID:20062845 + PMID:21689976 + PMID:22365879 + PMID:22476141 + PMID:28166217 + Patent:CN101684061 + Reaxys:2046665 + 5-chloro-2-hydroxybenzoic acid + chebi_ontology + 2-Hydroxy-5-chlorobenzoic acid + 5 CSA + 5-Chloro-2-hydroxybenzoic acid + CHEBI:420128 + + 5-chlorosalicylic acid + + + + @@ -56807,6 +70446,42 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + 0 + CHO + 29.01804 + 29.00274 + [H]C(*)=O + CHEBI:24089 + CHEBI:42480 + PDBeChem:FOR + FORMYL GROUP + aldehyde group + carbaldehyde + formyl + chebi_ontology + -CH(O) + -CHO + Fo + H-CO- + methanoyl + CHEBI:42485 + + formyl group + + + + @@ -56898,6 +70573,108 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 12540854 + + 0 + C21H31N3O5 + InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1 + RLAWWYSOJDYHDC-BZSNNMDCSA-N + 405.48790 + 405.22637 + NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O + CHEBI:43750 + Beilstein:4276619 + CAS:76547-98-3 + DrugBank:DB00722 + Drug_Central:1587 + LINCS:LSM-5756 + PDBeChem:LPR + Wikipedia:Lisinopril + N(2)-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline + chebi_ontology + (S)-1-(N(2)-(1-carboxy-3-phenylpropyl)-L-lysyl)-L-proline + [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE + lisinopril anhydrous + CHEBI:43755 + + lisinopril + + + + + + + + + A primary aliphatic amine that is butane substituted by an amino group at position 1. + + 0 + C4H11N + InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3 + HQABUPZFAYXKJW-UHFFFAOYSA-N + 73.13680 + 73.08915 + CCCCN + Beilstein:605269 + CAS:109-73-9 + DrugBank:DB03659 + Gmelin:1784 + MetaCyc:BUTYLAMINE + PDBeChem:LYT + PMID:16387436 + PMID:23470444 + PMID:23734590 + Reaxys:605269 + Wikipedia:N-Butylamine + butan-1-amine + chebi_ontology + 1-Aminobutan + 1-aminobutane + 1-butanamine + 1-butylamine + BUTYLAMINE + butanamine + butylamine + mono-n-butylamine + monobutylamine + n-Butylamin + n-C4H9NH2 + n-butylamine + CHEBI:43799 + + butan-1-amine + + + + @@ -56952,6 +70729,263 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. + Reference: PMID: 28751809 + + 0 + C6H13NO4 + InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1 + LXBIFEVIBLOUGU-JGWLITMVSA-N + 163.17170 + 163.08446 + OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O + CHEBI:132398 + CHEBI:132867 + CHEBI:76525 + CAS:19130-96-2 + DrugBank:DB03206 + HMDB:HMDB0035359 + KEGG:C16843 + KEGG:D09605 + KNApSAcK:C00029420 + MetaCyc:1-DEOXYNOJIRIMYCIN + PDBeChem:NOJ + PMID:23265519 + PMID:23391926 + PMID:23536174 + PMID:23561072 + PMID:23570294 + PMID:23648852 + PMID:23755289 + PMID:23909841 + PMID:24050301 + PMID:26292150 + PMID:26867190 + PMID:26927057 + PMID:27160849 + PMID:27294120 + Reaxys:1524395 + Wikipedia:1-Deoxynojirimycin + (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol + chebi_ontology + (+)-1-Deoxynojirimycin + 1,5-deoxy-1,5-imino-D-mannitol + 1,5-dideoxy-1,5-imino-D-glucitol + 1-DEOXYNOJIRIMYCIN + 1-Deoxymannojirimycin + 1-Deoxynojirimycin + 5-amino-1,5-dideoxy-D-glucopyranose + BAY-H-5595 + D-1-deoxynojirimycin + DNJ + Moranolin + Moranoline + duvoglustat + CHEBI:44369 + + duvoglustat + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the sterocenters at positions 4a, 10 and 10a have S-configuration. It is a prodrug of dextrorphan and used as an antitussive drug for suppressing cough. + Reference: PMID: 17689532 + + 0 + C18H25NO + InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1 + MKXZASYAUGDDCJ-NJAFHUGGSA-N + 271.404 + 271.19361 + C=1C=2C[C@H]3[C@@]4([C@](C2C=C(C1)OC)(CCCC4)CCN3C)[H] + CHEBI:92579 + CAS:125-71-3 + DrugBank:DB00514 + Drug_Central:842 + HMDB:HMDB0001920 + KEGG:C06947 + KEGG:D03742 + LINCS:LSM-2726 + PMID:10869398 + PMID:12711372 + PMID:15505150 + PMID:17157116 + PMID:17461892 + PMID:17573115 + PMID:18160193 + PMID:18198471 + PMID:24269965 + PMID:2660263 + PMID:31094746 + PMID:7976530 + PMID:8158182 + PMID:9705419 + Reaxys:88549 + Wikipedia:Dextromethorphan + (4aS,10S,10aS)-6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene + 3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan + chebi_ontology + (+)-3-methoxy-N-methylmorphinan + (+)-dextromethorphan + (9alpha,13alpha,14alpha)-3-methoxy-17-methylmorphinan + 3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan + Albutussin + Antussan + BA 2666 + BA-2666 + Balminil DM + Benylin DM + Calmylin + D-methorphan + DXM + Delsym + Dextromorphan + Medicon + Romilar + Tusilan + d-Methorphan + destrometerfano + dextromethorfan + dextromethorphan + dextromethorphane + dextromethorphanum + dextrometorfano + CHEBI:4470 + + dextromethorphan + + + + @@ -57148,6 +71182,80 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + The (R)-enantiomer of 2-methylbutanoic acid. + + 0 + C5H10O2 + InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m1/s1 + WLAMNBDJUVNPJU-SCSAIBSYSA-N + 102.13170 + 102.06808 + CC[C@@H](C)C(O)=O + CHEBI:38654 + CHEBI:45523 + Beilstein:1720484 + Gmelin:1041646 + PDBeChem:SMB + PMID:2026560 + (2R)-2-methylbutanoic acid + chebi_ontology + (2R)-2-methylbutyric acid + 2-METHYLBUTANOIC ACID + CHEBI:45525 + + (R)-2-methylbutyric acid + + + + + + + + + + + + + + + + + 0 + C4H9 + 57.11426 + 57.07043 + CC(*)CC + CHEBI:30352 + CHEBI:45554 + PDBeChem:NBU + 1-methylpropyl + SEC-BUTYL GROUP + butan-2-ido + butan-2-yl + sec-butyl + chebi_ontology + -CH(CH3)-CH2-CH3 + CH3-CH2-CH(CH3)- + but-2-yl + isoleucine side-chain + s-butyl + CHEBI:45557 + + sec-butyl group + + + + @@ -57330,6 +71438,99 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2. + + 0 + C4H10O + InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 + DKGAVHZHDRPRBM-UHFFFAOYSA-N + 74.12160 + 74.07316 + CC(C)(C)O + CHEBI:26877 + CHEBI:45893 + Beilstein:906698 + CAS:75-65-0 + Gmelin:1833 + HMDB:HMDB0031456 + PDBeChem:TBU + PMID:11409007 + PMID:11452135 + Reaxys:906698 + UM-BBD_compID:c0516 + Wikipedia:Tert-Butyl_alcohol + 2-methylpropan-2-ol + tert-butanol + chebi_ontology + (CH3)3C-OH + 1,1-dimethylethanol + TERTIARY-BUTYL ALCOHOL + t-Butylalkohol + t-butanol + t-butyl alchohol + tert-butyl alcohol + trimethylcarbinol + trimethylmethanol + CHEBI:45895 + + tert-butanol + + + + + + + + + + + + + + + + + An amino aldehyde that is L-tyrosine in which the carboxy group has undergone formal redution to give the corrresponding aldehyde + + 0 + C9H11NO2 + InChI=1S/C9H11NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,6,8,12H,5,10H2/t8-/m0/s1 + DXGAIOIQACHYRK-QMMMGPOBSA-N + 165.189 + 165.07898 + O=C[C@@H](N)CC=1C=CC(=CC1)O + CHEBI:46188 + MetaCyc:CPD-21526 + PDBeChem:TYB + PMID:23281040 + (2S)-2-amino-3-(4-hydroxyphenyl)propanal + chebi_ontology + (2S)-2-amino-3-(p-hydroxyphenyl)propanal + L-tyr aldehyde + TYROSINAL + CHEBI:46209 + + L-tyrosinal + + + + @@ -57398,6 +71599,80 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + Compounds based on a fused 1,2- or 1,3-oxazole and benzene bicyclic ring skeleton. + + chebi_ontology + benzoxazoles + CHEBI:46700 + + benzoxazole + + + + + + + + + + + chebi_ontology + pyrrolidinemonocarboxylic acids + CHEBI:46701 + + pyrrolidinemonocarboxylic acid + + + + + + + + + + + DrugBank:DB04797 + chebi_ontology + triazolopyridines + CHEBI:46746 + + triazolopyridine + + + + + + + + + + + + + + + Any molecule that contains two amino-acid residues connected by peptide linkages. + + CHEBI:23835 + CHEBI:4634 + KEGG:C00107 + Dipeptide + chebi_ontology + Dipeptid + dipeptides + CHEBI:46761 + + dipeptide + + + + @@ -57413,6 +71688,20 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + chebi_ontology + pyrrolidinecarboxylic acids + CHEBI:46767 + + pyrrolidinecarboxylic acid + + + + @@ -57427,6 +71716,37 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any ether that contains more than one ether linkage. + + polyether + chebi_ontology + polyethers + CHEBI:46774 + + polyether + + + + + + + + + + + chebi_ontology + N-alkylpyrrolidines + CHEBI:46775 + + N-alkylpyrrolidine + + + + @@ -57695,6 +72015,19 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + chebi_ontology + CHEBI:46940 + + indanes + + + + @@ -57783,6 +72116,32 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + Reference: PMID: 21833720 + + chebi_ontology + CHEBI:47278 + + 5-BROMOVINYLDEOXYURIDINE + + + + @@ -57934,6 +72293,70 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. + Reference: PMID: 2156866 + + 0 + C20H20BrN3O2S + InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2 + ZKZXNDJNWUTGDK-UHFFFAOYSA-N + 446.360 + 445.04596 + [H]C(CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2)=C([H])C1=CC=C(Br)C=C1 + CAS:127243-85-0 + DrugBank:DB07995 + LINCS:LSM-2608 + PDBeChem:IQB + PMID:26596264 + PMID:26747511 + PMID:26750148 + PMID:26807018 + Reaxys:8160271 + Wikipedia:H-89 + N-(2-{[3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide + chebi_ontology + H 89 + H-89 + N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE + CHEBI:47495 + + N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide + + + + @@ -58064,9 +72487,13 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + chebi_ontology aminoglycosides CHEBI:47779 + aminoglycoside @@ -58588,6 +73015,33 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An alkanethiol is a compound in which a sulfanyl group, -SH, is attached to an alkyl group. + + 0 + HSR + 33.074 + 32.97990 + *S + CHEBI:13812 + CHEBI:22328 + CHEBI:2585 + KEGG:C00812 + chebi_ontology + Alkyl thiol + alkanethiols + alkyl thiols + an alkyl thiol + CHEBI:47908 + + alkanethiol + + + + @@ -58698,6 +73152,34 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine. + + anthracycline + chebi_ontology + anthracyclines + CHEBI:48120 + + anthracycline + + + + @@ -59010,6 +73492,22 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + An organic heterobicyclic compound that consists of an imidazole ring ortho-fused to a pyridazine ring. + + chebi_ontology + imidazopyridazines + CHEBI:48382 + + imidazopyridazine + + + + @@ -59058,6 +73556,19 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + chebi_ontology + CHEBI:48513 + + carbazoles + + + + @@ -59078,6 +73589,21 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any molecule that contains five amino-acid residues connected by peptide linkages. + + chebi_ontology + pentapeptides + CHEBI:48545 + + pentapeptide + + + + @@ -59146,6 +73672,20 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + chebi_ontology + heteroarylpiperidines + CHEBI:48585 + + heteroarylpiperidine + + + + @@ -59161,6 +73701,65 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + chebi_ontology + hydroxypiperidines + CHEBI:48590 + + hydroxypiperidine + + + + + + + + + + + chebi_ontology + N-acylpiperidines + CHEBI:48591 + + N-acylpiperidine + + + + + + + + + + + chebi_ontology + benzocycloheptapyridines + CHEBI:48593 + + benzocycloheptapyridine + + + + + + + + + + + chebi_ontology + piperidinium ions + CHEBI:48633 + + piperidinium ion + + + + @@ -59402,6 +74001,70 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + Any L-alpha-amino acid carrying an N-acyl substituent. + + 0 + C3H3NO3R2 + 101.061 + 101.01129 + CHEBI:13240 + CHEBI:7232 + KEGG:C02850 + chebi_ontology + N-Acyl-L-amino acid + CHEBI:48927 + + N-acyl-L-alpha-amino acid + + + + + + + + + + + + + + + + + -1 + C5H9O2 + InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1 + WLAMNBDJUVNPJU-UHFFFAOYSA-M + 101.12376 + 101.06080 + CCC(C)C([O-])=O + Beilstein:4127269 + 2-methylbutanoate + chebi_ontology + 2-methylbutanoate + CHEBI:48946 + + 2-methylbutyrate + + + + @@ -59873,6 +74536,124 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. + Reference: PMID: 5284360 + + 0 + C19H16ClNO4 + InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) + CGIGDMFJXJATDK-UHFFFAOYSA-N + 357.78800 + 357.07679 + COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 + CHEBI:49660 + CHEBI:5918 + Beilstein:497341 + CAS:53-86-1 + DrugBank:DB00328 + Drug_Central:1440 + Gmelin:1446006 + HMDB:HMDB0014473 + KEGG:C01926 + KEGG:D00141 + KNApSAcK:C00030512 + LINCS:LSM-3275 + MetaCyc:CPD-10545 + PDBeChem:IMN + PMID:22931205 + PMID:23992308 + PMID:28166217 + PMID:5952296 + PMID:6039425 + Patent:BE379378 + Patent:US3161654 + Reaxys:497341 + Wikipedia:Indometacin + [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid + chebi_ontology + 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid + Aconip + Indocin + Indomethacin + indometacin + indometacina + indometacine + indometacinum + {1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid + CHEBI:49662 + + indometacin + + + + @@ -60025,6 +74806,34 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. The oestrogens that occur naturally in the body, notably estrone, estradiol, estriol, and estetrol are steroids. Other compounds with oestrogenic activity are produced by plants (phytoestrogens) and fungi (mycoestrogens); synthetic compounds with oestrogenic activity are known as xenoestrogens. + + Wikipedia:Estrogen + chebi_ontology + Estrogene + Oestrogen + Oestrogene + estrogene + estrogenes + estrogenes Hormon + estrogeno + estrogenos + estrogens + oestrogen + oestrogene + oestrogenes + oestrogens + CHEBI:50114 + + estrogen + + + + @@ -60197,6 +75006,22 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. + + chebi_ontology + GABA modulators + CHEBI:50268 + + GABA modulator + + + + @@ -60278,6 +75103,88 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + 0 + CH3S + 47.10052 + 46.99555 + SC* + sulfanylmethyl + chebi_ontology + -CH2-SH + HS-CH2- + cysteine side-chain + CHEBI:50326 + + sulfanylmethyl group + + + + + + + + + + 0 + C3H5O2 + 73.07060 + 73.02895 + C(CC(=O)O)* + 2-carboxyethyl + chebi_ontology + glutamic acid side-chain + CHEBI:50329 + + 2-carboxyethyl group + + + + + + + + + + 0 + C2H4NO + 58.05930 + 58.02929 + C(=O)(C*)N + 2-amino-2-oxoethyl + chebi_ontology + asparagine side-chain + CHEBI:50330 + + 2-amino-2-oxoethyl group + + + + + + + + + + 0 + C3H6NO + 72.08588 + 72.04494 + C(CC(=O)N)* + 3-amino-3-oxopropyl + chebi_ontology + glutamine side-chain + CHEBI:50331 + + 3-amino-3-oxopropyl group + + + + @@ -60294,6 +75201,134 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + 0 + C7H7O + 107.12988 + 107.04969 + C1=C(C*)C=CC(=C1)O + 4-hydroxybenzyl + chebi_ontology + tyrosine side-chain + CHEBI:50336 + + 4-hydroxybenzyl group + + + + + + + + + + 0 + C9H8N + 130.16656 + 130.06567 + N1C=C(C=2C=CC=CC12)C* + 1H-indol-3-ylmethyl + chebi_ontology + tryptophan side-chain + CHEBI:50337 + + 1H-indol-3-ylmethyl group + + + + + + + + + + 0 + C4H5N2 + 81.09598 + 81.04527 + *CC=1N=CNC1 + 1H-imidazol-4-ylmethyl + chebi_ontology + histidine side-chain + CHEBI:50338 + + 1H-imidazol-4-ylmethyl group + + + + + + + + + + + + + + + + 0 + C4H10N + 72.12894 + 72.08132 + NCCCC* + 4-aminobutyl + chebi_ontology + lysine side-chain + CHEBI:50339 + + 4-aminobutyl group + + + + + + + + + + 0 + C4H10N3 + 100.14242 + 100.08747 + NC(=N)NCCC* + 3-carbamimidamidopropyl + chebi_ontology + 3-(carbamimidoylamino)propyl + 3-guanidinopropyl + arginine side-chain + CHEBI:50340 + + 3-carbamimidamidopropyl group + + + + + + + + + + 0 + C2H5O + 45.06050 + 45.03404 + OC(C)* + 1-hydroxyethyl + chebi_ontology + threonine side-chain + CHEBI:50341 + + 1-hydroxyethyl group + + + + @@ -60380,6 +75415,28 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + A primary amine formally derived from ammonia by replacing one hydrogen atom by an aryl group. R-NH2 where R is an aryl group. + + 0 + H2NR + 16.023 + 16.01872 + [H]N(*)[H] + primary arylamine + chebi_ontology + an arylamine + CHEBI:50471 + + primary arylamine + + + + @@ -60677,6 +75734,22 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + pyrimidine N-oxide + chebi_ontology + pyrimidine N-oxides + CHEBI:50698 + + pyrimidine N-oxide + + + + @@ -60897,6 +75970,39 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + An agent which overcomes insulin resistance by activation of the peroxisome proliferator activated receptor gamma (PPAR-gamma). + + chebi_ontology + PPAR-gamma agonist + PPAR-gamma agonists + PPARgamma agonist + PPARgamma agonists + glitazonas + glitazone drug + glitazones + insulin sensitisers + insulin sensitizers + insulin-sensitising drug + insulin-sensitizing agent + peroxisome proliferator-activated receptor gamma agonist + peroxisome proliferator-activated receptor gamma agonists + proliferator activated receptor gamma agonist + proliferator activated receptor gamma agonists + thiazolidinediones + tiazolidinedionas + CHEBI:50864 + + insulin-sensitizing drug + + + + @@ -61191,6 +76297,20 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An agent that modulates the physiologic angiogenesis process. This is accomplished by endogenous angiogenic proteins and a variety of other chemicals and pharmaceutical agents. + + chebi_ontology + CHEBI:50926 + + angiogenesis modulating agent + + + + @@ -61208,6 +76328,20 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A thiadiazolidine in which the 1,3-thiazolidine ring is substituted by two oxo groups. + + chebi_ontology + CHEBI:50990 + + thiazolidinediones + + + + @@ -61376,6 +76510,23 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + nitrogen group + chebi_ontology + nitrogen groups + nitrogen-containing group + nitrogenous group + CHEBI:51144 + + nitrogen group + + + + @@ -61391,6 +76542,23 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration. + + chebi_ontology + anti-tussive + cough suppressant + cough suppressants + CHEBI:51177 + + antitussive + + + + @@ -61575,6 +76743,66 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives. + + chebi_ontology + CHEBI:51269 + + acenes + + + + + + + + + Compounds containing a tetracene skeleton. + + chebi_ontology + naphthacenes + CHEBI:51270 + + tetracenes + + + + + + + + + + Quinones containing an acene fused ring system. + + acenoquinone + chebi_ontology + acenoquinones + CHEBI:51285 + + acenoquinone + + + + + + + + + + + chebi_ontology + CHEBI:51286 + + tetracenequinones + + + + @@ -61591,6 +76819,20 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A substance, such as agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function, used for its pharmacological actions on GABAergic systems. + + chebi_ontology + CHEBI:51374 + + GABA agent + + + + @@ -61632,6 +76874,54 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A carnitinium that is the conjugate acid of (S)-carnitine. + + +1 + C7H16NO3 + InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m0/s1 + PHIQHXFUZVPYII-LURJTMIESA-O + 162.20688 + 162.11247 + C[N+](C)(C)C[C@@H](O)CC(O)=O + Beilstein:4291981 + Reaxys:4291981 + (2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium + chebi_ontology + CHEBI:51453 + + (S)-carnitinium + + + + @@ -61646,6 +76936,39 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + A carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of an amino acid. + + CHEBI:21653 + CHEBI:22226 + chebi_ontology + N-acyl amino acid + N-acyl amino acids + N-acyl-amino-acid + N-acyl-amino-acids + N-acylamino acid + N-acylamino acids + acyl-amino-acid + acyl-amino-acids + acylamino acids + CHEBI:51569 + + N-acyl-amino acid + + + + @@ -61900,6 +77223,21 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Compounds based upon an indolo[2,3-a]carbazole skeleton. + + chebi_ontology + indolocarbazoles + CHEBI:51915 + + indolocarbazole + + + + @@ -62070,6 +77408,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p LINCS:LSM-1099 Wikipedia:Nilotinib 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide + nilotinib chebi_ontology AMN 107 AMN107 @@ -62152,6 +77491,22 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any molecule or ion capable of binding to a central metal atom to form coordination complexes. + + Wikipedia:Ligand + chebi_ontology + ligands + CHEBI:52214 + + ligand + + + + @@ -62171,6 +77526,33 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + Any flavonol carrying a 7-hydroxy substituent. + + 0 + C15H3O4R7 + 247.182 + 247.00313 + C1(=C(C(=C(C2=C1OC(=C(C2=O)O)C3=CC(=C(C(=C3*)*)*)*)*)*)O)* + chebi_ontology + 7-hydroxy-flavonols + a 7-O-hydroxy-flavonol + CHEBI:52267 + + 7-hydroxyflavonol + + + + @@ -62201,6 +77583,29 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An EC 3.2.* (glycosylase) inhibitor that interferes with the action of any glycosidase (i.e. enzymes hydrolysing O- and S-glycosyl compounds, EC 3.2.1.*). + + CHEBI:76776 + chebi_ontology + EC 3.2.1.* (glycosidase) inhibitors + EC 3.2.1.* inhibitor + EC 3.2.1.* inhibitors + glycosidase (EC 3.2.1.*) inhibitor + glycosidase (EC 3.2.1.*) inhibitors + glycosidase inhibitor + glycosidase inhibitors + glycoside hydrolase inhibitors + CHEBI:52424 + + EC 3.2.1.* (glycosidase) inhibitor + + + + @@ -62313,6 +77718,160 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine. + Reference: PMID: 17328523 + + 0 + C24H29NO3 + InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 + ADEBPBSSDYVVLD-UHFFFAOYSA-N + 379.500 + 379.21474 + C1(=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)[H])OC)OC + Beilstein:7081955 + CAS:120014-06-4 + DrugBank:DB00843 + Drug_Central:946 + KEGG:D07869 + LINCS:LSM-1598 + Reaxys:7081955 + Wikipedia:Donepezil + chebi_ontology + donepezil + donepezilo + donepezilum + CHEBI:53289 + + donepezil + + + + + + + + + + + + + + + + + + + + + A 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one that has S configuration. + + 0 + C24H29NO3 + InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m0/s1 + ADEBPBSSDYVVLD-FQEVSTJZSA-N + 379.49200 + 379.21474 + [H][C@]1(CC2CCN(CC2)Cc2ccccc2)Cc2cc(OC)c(OC)cc2C1=O + Beilstein:7081957 + Reaxys:7081957 + (2S)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one + chebi_ontology + CHEBI:53290 + + (S)-donepezil + + + + + + + + + + + + + + + + + + + + + A 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one that has R configuration. + + 0 + C24H29NO3 + InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m1/s1 + ADEBPBSSDYVVLD-HXUWFJFHSA-N + 379.49200 + 379.21474 + [H][C@@]1(CC2CCN(CC2)Cc2ccccc2)Cc2cc(OC)c(OC)cc2C1=O + Beilstein:7081956 + PMID:23798321 + Reaxys:7081956 + (2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one + chebi_ontology + CHEBI:53292 + + (R)-donepezil + + + + @@ -62348,6 +77907,21 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + The compound salicylanilide and its derivatives. + + chebi_ontology + CHEBI:53468 + + salicylanilides + + + + @@ -62545,6 +78119,23 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Oxazoles in which the N and O atoms are adjacent. + + CHEBI:46813 + isoxazoles + chebi_ontology + 1,2-oxazoles + CHEBI:55373 + + isoxazoles + + + + @@ -62588,6 +78179,113 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. + Reference: PMID: 25592299 + + 0 + C21H23ClFNO2 + InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 + LNEPOXFFQSENCJ-UHFFFAOYSA-N + 375.86400 + 375.14013 + OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 + Beilstein:331267 + CAS:52-86-8 + DrugBank:DB00502 + Drug_Central:1353 + KEGG:C01814 + KEGG:D00136 + LINCS:LSM-3512 + PMID:10628896 + PMID:11304647 + PMID:25007358 + PMID:6725621 + PMID:7602118 + Patent:BE577977 + Patent:GB895309 + Patent:US3438991 + Reaxys:331267 + Wikipedia:Haloperidol + 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one + chebi_ontology + 1-(3-p-fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine + 4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone + 4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone + 4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone + 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one + Haldol + gamma-(4-(p-chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone + haloperidol + haloperidolum + CHEBI:5613 + + haloperidol + + + + @@ -62855,6 +78553,37 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of glycine. + + 0 + C2H5NO2 + InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) + DHMQDGOQFOQNFH-UHFFFAOYSA-N + 75.06660 + 75.03203 + [NH3+]CC([O-])=O + Gmelin:1807 + MetaCyc:GLY + 2-azaniumylacetate + chebi_ontology + glycine + CHEBI:57305 + + glycine zwitterion + + + + @@ -62886,6 +78615,38 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + Conjugate acid of staurosporine. + + +1 + C28H27N4O3 + InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/p+1/t17-,20-,26-,28+/m1/s1 + HKSZLNNOFSGOKW-FYTWVXJKSA-O + 467.53900 + 467.20777 + C[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 + MetaCyc:STAUROSPORINE + (5S,6R,7R,9R)-6-methoxy-N,5-dimethyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-aminium + chebi_ontology + (5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylazaniumyl-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one + staurosporine + staurosporinium cation + CHEBI:57491 + + staurosporinium + + + + @@ -62958,6 +78719,131 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + Zwitterionic form of gamma-amino-beta-hydroxybutyric acid having an anionic carboxy group and a protonated amino group. + + 0 + C4H9NO3 + InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8) + YQGDEPYYFWUPGO-UHFFFAOYSA-N + 119.11920 + 119.05824 + [NH3+]CC(O)CC([O-])=O + 4-azaniumyl-3-hydroxybutanoate + chebi_ontology + 4-amino-3-hydroxybutanoate + 4-ammonio-3-hydroxybutanoate + CHEBI:57630 + + gamma-amino-beta-hydroxybutyric acid zwitterion + + + + + + + + + + + + + + + Conjugate base of quercetin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. + + -1 + C15H9O7 + InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H/p-1 + REFJWTPEDVJJIY-UHFFFAOYSA-M + 301.22830 + 301.03538 + Oc1ccc(cc1O)-c1oc2cc([O-])cc(O)c2c(=O)c1O + 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4-chromen-7-olate + chebi_ontology + quercetin + quercetin anion + CHEBI:57694 + + quercetin-7-olate + + + + + + + + + + + + + + + A D-alpha-amino acid zwitterion that is D-proline in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. + + 0 + C5H9NO2 + InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 + ONIBWKKTOPOVIA-SCSAIBSYSA-N + 115.13050 + 115.06333 + [O-]C(=O)[C@H]1CCC[NH2+]1 + MetaCyc:D-PROLINE + (2R)-pyrrolidinium-2-carboxylate + chebi_ontology + D-proline + CHEBI:57726 + + D-proline zwitterion + + + + + + + + + + + + + + + A D-alpha-amino acid zwitterion that is D-threonine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. + + 0 + C4H9NO3 + InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1 + AYFVYJQAPQTCCC-STHAYSLISA-N + 119.11920 + 119.05824 + C[C@H](O)[C@@H]([NH3+])C([O-])=O + (2R,3S)-2-azaniumyl-3-hydroxybutanoate + chebi_ontology + D-threonine + CHEBI:57757 + + D-threonine zwitterion + + + + @@ -62989,6 +78875,100 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + Zwitterionic form of L-methionine having a anionic carboxy group and a cationic amino group; major species at pH 7.3. + + 0 + C5H11NO2S + InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 + FFEARJCKVFRZRR-BYPYZUCNSA-N + 149.21100 + 149.05105 + CSCC[C@H]([NH3+])C([O-])=O + Gmelin:560248 + MetaCyc:MET + (2S)-2-azaniumyl-4-(methylsulfanyl)butanoate + chebi_ontology + (2S)-2-ammonio-4-(methylsulfanyl)butanoate + L-methionine + CHEBI:57844 + + L-methionine zwitterion + + + + + + + + + + + + + + + Zwitterionic form of L-threonine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. + + 0 + C4H9NO3 + InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 + AYFVYJQAPQTCCC-GBXIJSLDSA-N + 119.11920 + 119.05824 + C[C@@H](O)[C@H]([NH3+])C([O-])=O + Gmelin:2506280 + (2S,3R)-2-azaniumyl-3-hydroxybutanoate + chebi_ontology + (2S,3R)-2-ammonio-3-hydroxybutanoate + L-threonine + CHEBI:57926 + + L-threonine zwitterion + + + + + + + + + + + + + + + Zwitterionic form of D-methionine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. + + 0 + C5H11NO2S + InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1 + FFEARJCKVFRZRR-SCSAIBSYSA-N + 149.21100 + 149.05105 + CSCC[C@@H]([NH3+])C([O-])=O + MetaCyc:CPD-218 + (2R)-2-azaniumyl-4-(methylsulfanyl)butanoate + chebi_ontology + (2R)-2-ammonio-4-(methylsulfanyl)butanoate + D-methionine + CHEBI:57932 + + D-methionine zwitterion + + + + @@ -63075,6 +79055,18 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + @@ -63105,6 +79097,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -63119,6 +79117,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p An aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions. PMID: 32150618; PMID: 32205204 + Reference: PMID: 32496241 https://www.drugbank.ca/drugs/DB01611 0 @@ -63178,6 +79177,39 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + Zwitterionic form of L-asparagine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. + + 0 + C4H8N2O3 + InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1 + DCXYFEDJOCDNAF-REOHCLBHSA-N + 132.11790 + 132.05349 + NC(=O)C[C@H]([NH3+])C([O-])=O + MetaCyc:ASN + (2S)-4-amino-2-azaniumyl-4-oxobutanoate + chebi_ontology + (2S)-2-ammonio-3-carbamoylpropanoate + (2S)-2-azaniumyl-3-carbamoylpropanoate + (2S)-4-amino-2-ammonio-4-oxobutanoate + L-asparagine + CHEBI:58048 + + L-asparagine zwitterion + + + + @@ -63267,6 +79299,48 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-tyrosine; major species at pH 7.3. + + 0 + C9H11NO3 + InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 + OUYCCCASQSFEME-QMMMGPOBSA-N + 181.18850 + 181.07389 + [NH3+][C@@H](Cc1ccc(O)cc1)C([O-])=O + (2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoate + chebi_ontology + (2S)-2-ammonio-3-(4-hydroxyphenyl)propanoate + L-tyrosine + CHEBI:58315 + + L-tyrosine zwitterion + + + + @@ -63277,6 +79351,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -63369,6 +79449,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p PMID:18697608 PMID:21368281 PMID:24168233 + PMID:25521617 PMID:25708941 PMID:25915907 PMID:29756342 @@ -63442,6 +79523,65 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + A D-alpha-amino acid zwitterion that is D-tyrosine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. + + 0 + C9H11NO3 + InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1 + OUYCCCASQSFEME-MRVPVSSYSA-N + 181.18850 + 181.07389 + [NH3+][C@H](Cc1ccc(O)cc1)C([O-])=O + MetaCyc:D-TYROSINE + (2R)-2-ammonio-3-(4-hydroxyphenyl)propanoate + chebi_ontology + D-tyrosine + CHEBI:58570 + + D-tyrosine zwitterion + + + + + + + + + + + + + + + The conjugate base of a flavonol compound. + + -1 + C15O3R9 + 228.159 + 227.98474 + C12=C(OC(C3=C(C(=C(C(=C3*)*)*)*)*)=C(C1=O)[O-])C(=C(C(=C2*)*)*)* + MetaCyc:Flavonols + chebi_ontology + a flavonol oxoanion + flavonol oxoanions + flavonolate + CHEBI:58588 + + flavonol oxoanion + + + + @@ -63513,6 +79653,96 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + Any saturated fatty acid anion lacking a carbon side-chain. + + chebi_ontology + straight-chain saturated fatty acid anions + CHEBI:58954 + + straight-chain saturated fatty acid anion + + + + + + + + + + + + + + + Any fatty acid anion with a carbon side-chain or isopropyl termination. + + chebi_ontology + branched-chain fatty acid anions + CHEBI:58955 + + branched-chain fatty acid anion + + + + + + + + + + + + + + + + Any saturated fatty acid anion with a carbon side-chain or isopropyl termination. + + chebi_ontology + branched-chain saturated fatty acid anions + CHEBI:58956 + + branched-chain saturated fatty acid anion + + + + + + + + + + Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes with the activity of a metalloendopeptidase (EC 3.4.24.*). + + CHEBI:76786 + chebi_ontology + EC 3.4.24.* (metalloendopeptidase) inhibitors + EC 3.4.24.* inhibitor + EC 3.4.24.* inhibitors + inhibitor of metalloendopeptidases + inhibitor of metalloendopeptidases (EC 3.4.24.*) + inhibitors of metalloendopeptidases + inhibitors of metalloendopeptidases (EC 3.4.24.*) + metalloendopeptidase (EC 3.4.24.*) inhibitor + metalloendopeptidase (EC 3.4.24.*) inhibitors + metalloendopeptidase inhibitors + CHEBI:59107 + + EC 3.4.24.* (metalloendopeptidase) inhibitor + + + + @@ -63572,6 +79802,83 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + Conjugate base of 5-chlorosalicylic acid. + + -1 + C7H4ClO3 + InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)/p-1 + NKBASRXWGAGQDP-UHFFFAOYSA-M + 171.55800 + 170.98545 + Oc1ccc(Cl)cc1C([O-])=O + Beilstein:3608526 + Gmelin:482088 + PMID:14617643 + PMID:533271 + Reaxys:3608526 + chebi_ontology + CHEBI:59131 + + 5-chlorosalicylate + + + + + + + + + + + + + + + Any fatty acid whose skeletal carbon atoms form an unbranched open chain. + + chebi_ontology + straight-chain fatty acids + CHEBI:59202 + + straight-chain fatty acid + + + + + + + + + + + + + + + A fatty acid anion formed by deprotonation of the carboxylic acid functional group of a straight-chain fatty acid. + + chebi_ontology + straight-chain FA anion + straight-chain FA anions + straight-chain fatty acid anions + CHEBI:59203 + + straight-chain fatty acid anion + + + + @@ -63722,6 +80029,27 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + An organic anion that is the conjugate base of diamino acid. + + chebi_ontology + diamino acid anions + CHEBI:59561 + + diamino acid anion + + + + @@ -63967,6 +80295,66 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + A carboxylic acid anion that is the conjugate base of an N-acyl-L-alpha-amino acid arising from deprotonation of the C-1 carboxy group. + + -1 + C3H2NO3R2 + 100.05290 + 100.00347 + [O-]C(=O)[C@H]([*])NC([*])=O + chebi_ontology + N-acyl-L-alpha-amino acid(1-) + an N-acyl-L-amino acid + CHEBI:59874 + + N-acyl-L-alpha-amino acid anion + + + + + + + + + + + + + + + The conjugate base of an N-acyl-D-alpha-amino acid arising from deprotonation of the C-1 carboxy group. + + -1 + C3H2NO3R2 + 100.05290 + 100.00347 + [O-]C(=O)[C@@H]([*])NC([*])=O + chebi_ontology + N-acyl-D-alpha-amino acid(1-) + an N-acyl-D-amino acid + CHEBI:59876 + + N-acyl-D-alpha-amino acid anion + + + + @@ -64058,6 +80446,62 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + The zwitterion formed from L-proline by proton transfer from the carboxy group to the ring nitrogen. It is the predominant species at physiological pH. + + 0 + C5H9NO2 + InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 + ONIBWKKTOPOVIA-BYPYZUCNSA-N + 115.13050 + 115.06333 + [O-]C(=O)[C@@H]1CCC[NH2+]1 + CHEBI:58054 + MetaCyc:PRO + (2S)-pyrrolidinium-2-carboxylate + chebi_ontology + L-proline + CHEBI:60039 + + L-proline zwitterion + + + + + + + + + + + + + + + Conjugate base of a 7-hydroxyflavonol compound arising from selective deprotonation of the 3-hydroxy group; major species at pH 7.3. + + -1 + C15H2O4R7 + 246.175 + 245.99531 + C1(=C(C(=C(C2=C1OC(=C(C2=O)[O-])C3=CC(=C(C(=C3*)*)*)*)*)*)O)* + chebi_ontology + CHEBI:60090 + + 7-hydroxyflavon-3-olate + + + + @@ -64152,6 +80596,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p 0 C2H4NO2R(C2H2NOR)n chebi_ontology + a peptide peptide zwitterions CHEBI:60466 @@ -64190,6 +80635,21 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any agent that acts on a delta-opioid receptor. + + chebi_ontology + delta-opioid agents + CHEBI:60601 + + delta-opioid agent + + + + @@ -64251,6 +80711,62 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + A branched-chain saturated fatty acid anion that is the conjugate base of valproic acid. + + -1 + C8H15O2 + InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1 + NIJJYAXOARWZEE-UHFFFAOYSA-M + 143.20350 + 143.10775 + CCCC(CCC)C([O-])=O + CHEBI:68615 + LINCS:LSM-6363 + PMID:16012283 + PMID:20633966 + PMID:21161183 + PMID:21167688 + PMID:21243535 + PMID:21454832 + PMID:21459656 + PMID:21472635 + PMID:21593515 + PMID:21629819 + PMID:21767635 + PMID:8681902 + 2-propylpentanoate + chebi_ontology + 2-propylvalerate + dipropylacetate + CHEBI:60654 + + valproate + + + + @@ -64485,6 +81001,36 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98). + + Wikipedia:Histone_deacetylase_inhibitor + chebi_ontology + EC 3.5.1.98 (histone deacetylase) inhibitors + EC 3.5.1.98 inhibitor + EC 3.5.1.98 inhibitors + HDAC inhibitor + HDAC inhibitors + HDACi + HDACis + HDI + HDIs + histone amidohydrolase inhibitor + histone amidohydrolase inhibitors + histone deacetylase (EC 3.5.1.98) inhibitor + histone deacetylase (EC 3.5.1.98) inhibitors + histone deacetylase inhibitor + histone deacetylase inhibitors + CHEBI:61115 + + EC 3.5.1.98 (histone deacetylase) inhibitor + + + + @@ -64598,6 +81144,47 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + A dicarboxylate that contains four carbon atoms. + + chebi_ontology + CHEBI:61336 + + C4-dicarboxylate + + + + + + + + + Any hydroxy carboxylic acid which contains a hydroxy group located beta- to the carboxylic acid group. + + chebi_ontology + 3-hydroxy carboxylic acids + 3-hydroxycarboxylic acid + 3-hydroxycarboxylic acids + beta-hydroxy carboxylic acid + beta-hydroxy carboxylic acids + beta-hydroxycarboxylic acid + beta-hydroxycarboxylic acids + CHEBI:61355 + + 3-hydroxy carboxylic acid + + + + @@ -64663,7 +81250,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p - + @@ -65047,6 +81634,30 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + Any branched-chain fatty acid containing methyl branches only. + + PMID:17030019 + PMID:19747846 + PMID:19933331 + chebi_ontology + methyl-branched fatty acids + CHEBI:62499 + + methyl-branched fatty acid + + + + @@ -65488,6 +82099,102 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine. + Reference: PMID: 18183025 + + 0 + C35H30N4O4 + InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 + BMGQWWVMWDBQGC-IIFHNQTCSA-N + 570.63710 + 570.22671 + CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 + CAS:120685-11-2 + KEGG:D05029 + LINCS:LSM-2287 + PMID:20980353 + Reaxys:7345336 + Wikipedia:Midostaurin + N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide + chebi_ontology + 4'-N-benzoylstaurosporine + CGP 41251 + CGP-41251 + PKC 412 + PKC412 + benzoylstaurosporine + midostaurin + CHEBI:63452 + + midostaurin + + + + + + + + + + + + + + + A sulfur-containing amino acid whose alpha-carboxylic acid group is ionized (not protonated). + + chebi_ontology + sulfur-containing amino-acid anions + CHEBI:63470 + + sulfur-containing amino-acid anion + + + + @@ -65594,6 +82301,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + @@ -65610,6 +82318,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -65688,11 +82402,24 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + 9344 A 1-ribosyltriazole that is the 1-ribofuranosyl derivative of 1,2,4-triazole-3-carboxamide. A synthetic guanosine analogue, it is an inhibitor of HCV polymerase and possesses a broad spectrum of activity against DNA and RNA viruses. A 1-ribosyltriazole that is the 1-ribofuranosyl derivative of 1,2,4-triazole-3-carboxamide. An inhibitor of HCV polymerase. PMID: 24013700; PMID: 27344959 PMID: 27344959; PMID: 26868298; PMID: 15200845; PMID: 16837072 + Reference: PMID: 22555152 https://www.drugbank.ca/drugs/DB00811 @@ -66184,6 +82911,40 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A food additive that is used to change or otherwise control the acidity or alkalinity of foods. They may be acids, bases, neutralising agents or buffering agents. + + Wikipedia:Acidity_regulator + chebi_ontology + acidity regulator + acidity regulators + food acidity regulators + pH control agent + pH control agents + CHEBI:64049 + + food acidity regulator + + + + + + + + + + + chebi_ontology + CHEBI:64054 + + delta-opioid receptor agonist + + + + @@ -66281,6 +83042,184 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of arogenate dehydrogenase (EC 1.3.1.43). + + Wikipedia:Arogenate_dehydrogenase + chebi_ontology + EC 1.3.1.43 (arogenate dehydrogenase) inhibitors + EC 1.3.1.43 inhibitor + EC 1.3.1.43 inhibitors + L-arogenate:NAD(+) oxidoreductase (decarboxylating) inhibitor + L-arogenate:NAD(+) oxidoreductase (decarboxylating) inhibitors + L-arogenate:NAD+ oxidoreductase (decarboxylating) inhibitor + L-arogenate:NAD+ oxidoreductase (decarboxylating) inhibitors + L-arogenate:NAD+ oxidoreductase inhibitor + L-arogenate:NAD+ oxidoreductase inhibitors + TyrA(a) inhibitor + TyrA(a) inhibitors + arogenate dehydrogenase (EC 1.3.1.43) inhibitor + arogenate dehydrogenase (EC 1.3.1.43) inhibitors + arogenate dehydrogenase inhibitor + arogenate dehydrogenase inhibitors + cyclohexadienyl dehydrogenase inhibitor + cyclohexadienyl dehydrogenase inhibitors + CHEBI:64416 + + EC 1.3.1.43 (arogenate dehydrogenase) inhibitor + + + + + + + + + + 0 + C17H23NO + InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1 + JAQUASYNZVUNQP-USXIJHARSA-N + 257.371 + 257.17796 + CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 + CAS:77-07-6 + Drug_Central:1574 + HMDB:HMDB0014992 + KEGG:C08014 + KEGG:D08123 + Levorphanol + chebi_ontology + N-Methyl-3-hydroxymorphinan + aromarone + levo-dromoran + levorphan + levorphanol tartrate + racemorphan + CHEBI:6444 + + Levorphanol + + + + + + + + + An organic aromatic compound whose structure contains two aromatic rings or ring systems, joined to each other by a single bond. + + chebi_ontology + biaryls + CHEBI:64459 + + biaryl + + + + + + + + + + + + + + + An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of tryptophan; major species at pH 7.3. + + 0 + C11H12N2O2 + InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) + QIVBCDIJIAJPQS-UHFFFAOYSA-N + 204.22520 + 204.08988 + [NH3+]C(Cc1c[nH]c2ccccc12)C([O-])=O + 2-azaniumyl-3-(1H-indol-3-yl)propanoate + chebi_ontology + 2-ammonio-3-(1H-indol-3-yl)propanoate + CHEBI:64554 + + tryptophan zwitterion + + + + + + + + + + + + + + + An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of methionine; major species at pH 7.3. + + 0 + C5H11NO2S + InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) + FFEARJCKVFRZRR-UHFFFAOYSA-N + 149.21100 + 149.05105 + CSCCC([NH3+])C([O-])=O + 2-azaniumyl-4-(methylsulfanyl)butanoate + chebi_ontology + 2-ammonio-4-(methylsulfanyl)butanoate + methionine + CHEBI:64558 + + methionine zwitterion + + + + + + + + + An EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor that interferes with the action of glycine hydroxymethyltransferase (EC 2.1.2.1). + + Wikipedia:Glycine_hydroxymethyltransferase + chebi_ontology + 5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitor + 5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitors + EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitors + EC 2.1.2.1 inhibitor + EC 2.1.2.1 inhibitors + L-serine hydroxymethyltransferase inhibitor + L-serine hydroxymethyltransferase inhibitors + L-threonine aldolase inhibitor + L-threonine aldolase inhibitors + allothreonine aldolase inhibitor + allothreonine aldolase inhibitors + glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitor + glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitors + glycine hydroxymethyltransferase inhibitor + glycine hydroxymethyltransferase inhibitors + serine aldolase inhibitor + serine aldolase inhibitors + serine hydroxymethylase inhibitor + serine hydroxymethylase inhibitors + serine hydroxymethyltransferase inhibitor + serine hydroxymethyltransferase inhibitors + serine transhydroxymethylase inhibitor + serine transhydroxymethylase inhibitors + threonine aldolase inhibitor + threonine aldolase inhibitors + CHEBI:64570 + + EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor + + + + @@ -66336,6 +83275,60 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + An anthracycline cation that is the conjugate acid of daunorubicin, arising from protonation of the amino group. + + +1 + C27H30NO10 + InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/p+1/t10-,14-,16-,17-,22+,27-/m0/s1 + STQGQHZAVUOBTE-VGBVRHCVSA-O + 528.52780 + 528.18642 + COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H]([NH3+])[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O + (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside + chebi_ontology + (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-ammmonio-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside + daunorubicin + daunorubicin (+1) + daunorubicin cation + CHEBI:64677 + + daunorubicin(1+) + + + + + + + + + + + + + + + + An organic cation obtained by protonation of any anthracycline. + + chebi_ontology + anthracycline cations + CHEBI:64678 + + anthracycline cation + + + + @@ -66366,6 +83359,80 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A group that carries an overall positive charge. + + chebi_ontology + cationic groups + CHEBI:64766 + + cationic group + + + + + + + + + A group that carries an overall negative charge. + + chebi_ontology + anionic groups + CHEBI:64767 + + anionic group + + + + + + + + + A cationic group that contains carbon. + + chebi_ontology + organic cationic groups + CHEBI:64769 + + organic cationic group + + + + + + + + + An anionic group that contains carbon. + + chebi_ontology + organic anionic groups + CHEBI:64775 + + organic anionic group + + + + + + + + + An amino-acid residue carrying an overall negative charge. + + chebi_ontology + CHEBI:64898 + + anionic amino-acid residue + + + + @@ -66550,6 +83617,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p A lipoxygenase inhibitor that interferes with the action of arachidonate 15-lipoxygenase (EC 1.13.11.33). + Wikipedia:ALOX15 chebi_ontology 15-LOX inhibitor 15-LOX inhibitors @@ -66701,6 +83769,53 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Antipsychotic drugs which can have different modes of action but which tend to be less likely than first generation antipsychotics to cause extrapyramidal motor control disabilities such as body rigidity or Parkinson's disease-type movements. + + chebi_ontology + atypical antipsychotic + atypical antipsychotic agent + atypical antipsychotic agents + atypical antipsychotic drug + atypical antipsychotic drugs + atypical antipsychotics + second generation antipsychotic agent + second generation antipsychotic agents + second generation antipsychotic drug + second generation antipsychotic drugs + second generation antipsychotics + CHEBI:65191 + + second generation antipsychotic + + + + + + + + + An antagonist at the vascular endothelial growth factor receptor. + + Wikipedia:VEGF_receptors + chebi_ontology + VEGF receptor inhibitor + VEGF receptor inhibitors + VEGFR inhibitor + VEGFR inhibitors + vascular endothelial growth factor receptor antagonists + vascular endothelial growth factor receptor inhibitor + vascular endothelial growth factor receptor inhibitors + CHEBI:65207 + + vascular endothelial growth factor receptor antagonist + + + + @@ -66974,6 +84089,145 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 5-formyltetrahydrofolic acid. + + -2 + C20H21N7O7 + InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/p-2/t12?,13-/m0/s1 + VVIAGPKUTFNRDU-ABLWVSNPSA-L + 471.42340 + 471.15134 + [H]C(=O)N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 + (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl)amino]pentanedioate + chebi_ontology + CHEBI:65340 + + 5-formyltetrahydrofolate(2-) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders. + Reference: PMID: 25318072 + + 0 + C22H23ClN2O2 + InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 + JCCNYMKQOSZNPW-UHFFFAOYSA-N + 382.890 + 382.14481 + CCOC(=O)N1CCC(CC1)=C1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2 + CHEBI:94763 + CAS:79794-75-5 + Chemspider:3820 + DrugBank:DB00455 + Drug_Central:1605 + FooDB:FDB023577 + HMDB:HMDB0005000 + KEGG:D00364 + LINCS:LSM-5891 + PMID:15627436 + PMID:24134630 + PMID:31315424 + PMID:31576110 + PMID:32312261 + PMID:32694422 + PMID:32877950 + PMID:33550204 + PMID:33673552 + PMID:33963858 + PMID:34121623 + PMID:34306392 + PMID:7522069 + Reaxys:4273483 + Wikipedia:Loratadine + ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate + chebi_ontology + 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester + Aerotina + Alarin + Alavert + Alerpriv + Allerclear + Civeran + Claratyne + Claritin + Loracert + Loradamed + Loradex + Lorastine + Loratyne + Wal-itin + loratadina + loratadine + loratadinum + CHEBI:6538 + + loratadine + + + + @@ -67052,23 +84306,125 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A pentapeptide comprising L-tyrosine, glycine, glycine, L-phenylalanine and L-methionine residues joined in sequence by peptide linkages. It is an endogenous opioid peptide with antitumor, analgesic, and immune-boosting properties. 0 C27H35N5O7S InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1 YFGBQHOOROIVKG-FKBYEOEOSA-N - 573.663 + 573.670 573.22572 - CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O + CSCCC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O CAS:58569-55-4 + Chemspider:391597 + DrugBank:DB12668 KEGG:C11684 + PMID:30422494 + PMID:30930116 + PMID:31078923 + PMID:31404891 + PMID:31835089 + PMID:31994797 + PMID:32129162 + PMID:32412087 + PMID:32491696 + PMID:32535097 + PMID:32666020 + PMID:33620466 + PMID:33957231 + PMID:33965882 + PMID:34116288 + PMID:34309826 + PMID:34311187 + PMID:34315116 + PMID:34324868 + PMID:34426103 + Wikipedia:Met-enkephalin + L-tyrosylglycylglycyl-L-phenylalanyl-L-methionine MET-enkephalin chebi_ontology - Methionine enkephalin + H-L-Tyr-Gly-Gly-L-Phe-L-Met-OH + L-Tyr-Gly-Gly-L-Phe-L-Met + Lupex + M-ENK + MENK + Tyr-Gly-Gly-Phe-Met + Tyr-Gly-Gly-Phe-Met-OH + [Met(5)]-enkephalin + [Met(5)]enkephalin + enkephalin, methionine + metencefalina + metenkefalin + metenkefaline + metenkefalinum + methionine enkephalin + methionine-enkephalin + opioid growth factor + opioid growth factor (OGF) CHEBI:6618 - - MET-enkephalin + + Met-enkephalin @@ -67128,6 +84484,27 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + Any dicarboxylic acid that contains four carbon atoms. + + chebi_ontology + C4-dicarboxylic acids + CHEBI:66873 + + C4-dicarboxylic acid + + + + @@ -67210,6 +84587,109 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of alanine; major species at pH 7.3. + + 0 + C3H7NO2 + InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) + QNAYBMKLOCPYGJ-UHFFFAOYSA-N + 89.09320 + 89.04768 + CC([NH3+])C([O-])=O + 2-azaniumylpropanoate + chebi_ontology + 2-ammoniopropanoate + CHEBI:66916 + + alanine zwitterion + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A pyrazole substituted at position 1 by a 2-cyano-1-cyclopentylethyl group and at position 3 by a pyrrolo[2,3-d]pyrimidin-4-yl group. Used as the phosphate salt for the treatment of patients with intermediate or high-risk myelofibrosis, including primary myelofibrosis, post-polycythemia vera myelofibrosis and post-essential thrombocythemia myelofibrosis. + Reference: PMID: 22037378 + + 0 + C17H18N6 + InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 + HFNKQEVNSGCOJV-OAHLLOKOSA-N + 306.36500 + 306.15929 + N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 + CAS:941678-49-5 + Drug_Central:4190 + KEGG:D09959 + LINCS:LSM-1139 + PMID:21602517 + PMID:21919691 + PMID:21926964 + PMID:22034658 + PMID:22227528 + PMID:22279053 + PMID:22281165 + PMID:22375970 + PMID:22375971 + PMID:22399854 + PMID:22422826 + PMID:22474318 + PMID:22544377 + PMID:22718840 + PMID:22830345 + Patent:US2008312258 + Patent:US2010190981 + Reaxys:18703668 + Wikipedia:Ruxolitinib + (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile + chebi_ontology + INCB018424 + ruxolitinib + CHEBI:66919 + + ruxolitinib + + + + @@ -67231,6 +84711,110 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any compound that improves mental functions such as cognition, memory, intelligence, motivation, attention, and concentration. + + PMID:22393531 + PMID:22647316 + PMID:22742585 + PMID:22795553 + PMID:22828638 + PMID:22837964 + Wikipedia:Nootropic + chebi_ontology + cognitive enhancer + cognitive enhancers + intelligence enhancer + intelligence enhancers + memory enhancer + memory enhancers + neuro enhancer + neuro enhancers + nootropic + nootropic agents + nootropic drug + nootropic drugs + nootropics + smart drug + smart drugs + CHEBI:66980 + + nootropic agent + + + + + + + + + + + + + + + + An N-acyl-L-alpha-amino acid anion obtained by deprotonation of any folic acid. + + chebi_ontology + folate + folate anion + folate anions + CHEBI:67011 + + folates + + + + + + + + + + + + + + + Any branched-chain fatty acid anion containing methyl branches only. + + chebi_ontology + methyl-branched fatty acid anions + CHEBI:67013 + + methyl-branched fatty acid anion + + + + + + + + + + + + + + + A folate obtained by deprotonation of any tetrahydrofolic acid. + + chebi_ontology + tetrahydrofolate anion + tetrahydrofolate anions + tetrahydrofolates + CHEBI:67016 + + tetrahydrofolate + + + + @@ -67344,6 +84928,174 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of alpha-glucosidase (EC 3.2.1.20). + + CHEBI:50628 + Wikipedia:Alpha-glucosidase_inhibitor + chebi_ontology + EC 3.2.1.20 (alpha-glucosidase) inhibitors + EC 3.2.1.20 inhibitor + EC 3.2.1.20 inhibitors + alpha-1,4-glucosidase inhibitor + alpha-1,4-glucosidase inhibitors + alpha-D-glucosidase inhibitor + alpha-D-glucosidase inhibitors + alpha-glucopyranosidase inhibitor + alpha-glucopyranosidase inhibitors + alpha-glucosidase (EC 3.2.1.20) inhibitor + alpha-glucosidase (EC 3.2.1.20) inhibitors + alpha-glucosidase inhibitor + alpha-glucosidase inhibitors + alpha-glucoside hydrolase inhibitor + alpha-glucoside hydrolase inhibitors + glucoinvertase inhibitor + glucoinvertase inhibitors + glucosidoinvertase inhibitor + glucosidoinvertase inhibitors + glucosidosucrase inhibitor + glucosidosucrase inhibitors + maltase inhibitor + maltase inhibitors + maltase-glucoamylase inhibitor + maltase-glucoamylase inhibitors + CHEBI:67239 + + EC 3.2.1.20 (alpha-glucosidase) inhibitor + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1. + Reference: PMID: 24843020 + + 0 + C4H11N5 + InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) + XZWYZXLIPXDOLR-UHFFFAOYSA-N + 129.167 + 129.10145 + CN(C)C(=N)NC(N)=N + CAS:657-24-9 + DrugBank:DB00331 + Drug_Central:1725 + FooDB:FDB022739 + HMDB:HMDB0001921 + KEGG:C07151 + KEGG:D04966 + LINCS:LSM-4730 + PDBeChem:MF8 + PMID:10900588 + PMID:10983737 + PMID:10999803 + PMID:11012555 + PMID:11126815 + PMID:11192132 + PMID:11257323 + PMID:11544610 + PMID:11772907 + PMID:12086935 + PMID:12406042 + PMID:12436333 + PMID:12630933 + PMID:12909816 + PMID:15261814 + PMID:15606381 + PMID:15650645 + PMID:15717887 + PMID:15932841 + PMID:16294070 + PMID:16520442 + PMID:16941277 + PMID:17062558 + PMID:18212742 + PMID:18608522 + PMID:23077661 + PMID:23540700 + PMID:24428821 + PMID:28919040 + PMID:31208831 + PMID:33191721 + Reaxys:606492 + Wikipedia:Metformin + N,N-dimethyltriimidodicarbonic diamide + chebi_ontology + 1,1-dimethylbiguanide + LA 6023 + LA-6023 + N(1),N(1)-dimethylbiguanide + N,N-dimethylbiguanide + N,N-dimethyldiguanide + N,N-dimethylguanylguanidine + N,N-dimethylimidodicarbonimidic diamide + dimethylbiguanide + dimethyldiguanide + metformin + metformina + metformine + metforminum + CHEBI:6801 + + metformin + + + + @@ -67405,6 +85157,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -67441,10 +85199,13 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p 957.58136 [H][C@]1(CC[C@@H](OCCO)[C@@H](C1)OC)C[C@@H](C)[C@]1([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]2([H])CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@@]2([H])C(=O)O1)OC CAS:159351-69-6 + Chemspider:21106307 DrugBank:DB01590 Drug_Central:1118 HMDB:HMDB0015529 KEGG:D02714 + LINCS:LSM-43172 + PMID:22363408 PMID:22404500 PMID:22461124 PMID:22683823 @@ -67452,6 +85213,18 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p PMID:22969095 PMID:22983698 PMID:22986894 + PMID:31478889 + PMID:33640871 + PMID:33986025 + PMID:33998365 + PMID:34018490 + PMID:34225066 + PMID:34242751 + PMID:34253597 + PMID:34299359 + PMID:34467233 + PMID:34491881 + PMID:34527569 Patent:CN102138903 Patent:RU2008143550 Patent:WO2012066502 @@ -67461,8 +85234,17 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p chebi_ontology (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,35R)-1,18-dihydroxy-12-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0(4,9)]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone 40-O-(2-hydroxyethyl)-rapamycin - 42-O-(2-Hydroxyethyl)rapamycin + 42-O-(2-hydroxyethyl)rapamycin Afinitor + Afinitor Disperz + Certican + RAD 001 + RAD001 + SDZ RAD + SDZ-RAD + Votubia + Xience V + Zortress everolimus everolimusum CHEBI:68478 @@ -67624,6 +85406,139 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A pyrimidine N-oxide that is pyrimidine-2,4-diamine 3-oxide substituted by a piperidin-1-yl group at position 6. + Reference: PMID: 30481795 + + 0 + C9H15N5O + InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12) + ZFMITUMMTDLWHR-UHFFFAOYSA-N + 209.24830 + 209.12766 + Nc1cc(nc(N)[n+]1[O-])N1CCCCC1 + CHEBI:49774 + CAS:38304-91-5 + DrugBank:DB00350 + Drug_Central:1814 + HMDB:HMDB0014494 + KEGG:D00418 + PMID:24742982 + PMID:26024233 + PMID:7755612 + Patent:AU2012316063 + Patent:NL6615385 + Patent:RU2012112099 + Patent:US3382247 + Reaxys:886240 + Wikipedia:Minoxidil + 6-(piperidin-1-yl)pyrimidine-2,4-diamine 3-oxide + chebi_ontology + Alostil + Apo-Gain + Lonolox + Minoximen + Normoxidil + Regaine + Rogaine + Tricoxidil + minoxidil + minoxidilum + CHEBI:6942 + + minoxidil + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A dihydroxyflavanone that is pinocembrin substituted by a methyl group at position 8. It has been isolated from the buds of Cleistocalyx operculatus. + Reference: PMID: 21159648 + + 0 + C16H14O4 + InChI=1S/C16H14O4/c1-9-11(17)7-12(18)15-13(19)8-14(20-16(9)15)10-5-3-2-4-6-10/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1 + QSRIZZQWNHKERT-AWEZNQCLSA-N + 270.28000 + 270.08921 + Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1 + CAS:55743-21-0 + PMID:20886838 + Reaxys:88409 + (2S)-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydro-4H-chromen-4-one + chebi_ontology + (2S)-5,7-dihydroxy-8-methylflavanone + (S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyrone + CHEBI:70663 + + (2S)-8-methylpinocembrin + + + + @@ -67641,6 +85556,24 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any protein kinase inhibitor that inhibits the action of an Aurora kinase (a group of serine/threonine kinases that are essential for cell proliferation). + + PMID:19369091 + PMID:21147253 + PMID:22350019 + chebi_ontology + Aurora kinase inhibitors + CHEBI:70770 + + Aurora kinase inhibitor + + + + @@ -67842,6 +85775,143 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + An organic cation that is the conjugate acid of pazopanib. + + +1 + C21H24N7O2S + InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)/p+1 + CUIHSIWYWATEQL-UHFFFAOYSA-O + 438.52600 + 438.17067 + [H+].C1=C(C(=CC(=C1)NC=2N=CC=C(N2)N(C=3C=CC=4C(C3)=NN(C4C)C)C)S(N)(=O)=O)C + chebi_ontology + pazopanib cation + CHEBI:71218 + + pazopanib(1+) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer. + Reference: PMID: 32368441 + + 0 + C21H23N7O2S + InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) + CUIHSIWYWATEQL-UHFFFAOYSA-N + 437.520 + 437.16339 + C1=C(C(=CC(=C1)NC=2N=CC=C(N2)N(C=3C=CC=4C(C3)=NN(C4C)C)C)S(N)(=O)=O)C + CAS:444731-52-6 + Drug_Central:4118 + LINCS:LSM-1114 + PMID:21394443 + PMID:21766486 + PMID:21811833 + PMID:22112314 + PMID:22190407 + PMID:22233389 + PMID:22341567 + PMID:22359392 + PMID:22595799 + PMID:22679111 + PMID:22688250 + PMID:22716487 + PMID:22733110 + PMID:22733795 + PMID:22759480 + PMID:22766517 + PMID:22830347 + PMID:22861374 + PMID:22917595 + PMID:22984765 + PMID:23054212 + PMID:23064954 + PMID:23072642 + PMID:23088634 + PMID:23135778 + Patent:US2008293691 + Patent:WO2006020564 + Patent:WO2007064753 + Patent:WO2007143483 + Patent:WO2011058179 + Patent:WO2011069053 + Patent:WO2011150044 + Patent:WO2012106302 + Reaxys:11646488 + Wikipedia:Pazopanib + 5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)-2-methylbenzenesulfonamide + chebi_ontology + GW 78603 + GW786034 + pazopanib + pazopanibum + CHEBI:71219 + + pazopanib + + + + @@ -68086,6 +86156,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -68104,7 +86180,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p - An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide + An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide. 0 C20H39NO2 @@ -68115,8 +86191,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p CCCCCCCC\C=C/CCCCCCCC(=O)NCCO CHEBI:77362 CAS:111-58-0 + DrugBank:DB16495 + FooDB:FDB022839 HMDB:HMDB0002088 + LINCS:LSM-2694 LIPID_MAPS_instance:LMFA08040015 + MetaCyc:CPD-20398 PMID:19521349 PMID:20152858 PMID:20534733 @@ -68193,6 +86273,27 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + A PPAR modulator which activates the peroxisome proliferator-activated receptor-gamma. + + PPARgamma agonist + chebi_ontology + PPAR-gamma agonist + PPAR-gamma agonists + PPARgamma agonists + peroxisome proliferator-activated receptor-gamma agonist + peroxisome proliferator-activated receptor-gamma agonists + CHEBI:71554 + + PPARgamma agonist + + + + @@ -68209,6 +86310,42 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + An amino-acid anion in which the amino group is situated gamma- to the carboxylate group. + + chebi_ontology + gamma-amino acid anions + CHEBI:71666 + + gamma-amino acid anion + + + + + + + + + A hydroxypiperidine that has three hydroxy groups located at positions 3, 4 and 5 as well as a hydroxymethyl substituent at position 2. + + chebi_ontology + 2-(hydroxymethyl)piperidine-3,4,5-triols + CHEBI:72490 + + 2-(hydroxymethyl)piperidine-3,4,5-triol + + + + @@ -68290,6 +86427,53 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + An O-acylcarnitine having acetyl as the acyl substituent. + + 0 + C9H17NO4 + InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 + RDHQFKQIGNGIED-UHFFFAOYSA-N + 203.23560 + 203.11576 + CC(=O)OC(CC([O-])=O)C[N+](C)(C)C + CAS:870-77-9 + PMID:23315938 + Reaxys:4136458 + 3-(acetyloxy)-4-(trimethylazaniumyl)butanoate + chebi_ontology + 3-(acetyloxy)-4-(trimethylammonio)butanoate + Acetyl-DL-carnitine + DL-O-Acetylcarnitine + acetylcarnitine + CHEBI:73024 + + O-acetylcarnitine + + + + @@ -68322,6 +86506,46 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of H(+)-transporting two-sector ATPase inhibitor (EC 3.6.3.14). + + Wikipedia:ATP_synthase + chebi_ontology + ATP phosphohydrolase (H(+)-transporting) inhibitor + ATP phosphohydrolase (H(+)-transporting) inhibitors + ATP synthase inhibitor + ATP synthase inhibitors + EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitors + EC 3.6.3.14 inhibitor + EC 3.6.3.14 inhibitors + F1-ATPase inhibitor + F1-ATPase inhibitors + FoF1-ATPase inhibitor + FoF1-ATPase inhibitors + H(+)-transporting ATPase inhibitor + H(+)-transporting ATPase inhibitors + H(+)-transporting two-sector ATPase (EC 3.6.3.14) inhibitor + H(+)-transporting two-sector ATPase (EC 3.6.3.14) inhibitors + H(+)-transporting two-sector ATPase inhibitor + H(+)-transporting two-sector ATPase inhibitors + bacterial Ca(2+)/Mg(2+) ATPase inhibitor + bacterial Ca(2+)/Mg(2+) ATPase inhibitors + chloroplast ATPase inhibitor + chloroplast ATPase inhibitors + coupling factors (Fo, F1 and CF1) inhibitor + coupling factors (Fo, F1 and CF1) inhibitors + mitochondrial ATPase inhibitor + mitochondrial ATPase inhibitors + CHEBI:73214 + + EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor + + + + @@ -68423,6 +86647,30 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any organic molecule containing a C#C bond. + + 0 + C2R2 + 24.021 + 24.00000 + [*]C#C[*] + chebi_ontology + C#C containing compound + C#C containing compounds + C#C-containing compound + C#C-containing compounds + acetylenic compounds + CHEBI:73474 + + acetylenic compound + + + + @@ -68538,6 +86786,36 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + A D-alpha-amino acid zwitterion that is D-asparagine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. + + 0 + C4H8N2O3 + InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1 + DCXYFEDJOCDNAF-UWTATZPHSA-N + 132.11790 + 132.05349 + NC(=O)C[C@@H]([NH3+])C([O-])=O + (2R)-4-amino-2-azaniumyl-4-oxobutanoate + chebi_ontology + (2R)-4-amino-2-ammonio-4-oxobutanoate + D-asparagine + CHEBI:74337 + + D-asparagine zwitterion + + + + @@ -68568,6 +86846,58 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any substance which is used to reduce or control weight. + + Wikipedia:Anti-obesity + chebi_ontology + anti-obesity agents + anti-obestic agent + anti-obestic agents + CHEBI:74518 + + anti-obesity agent + + + + + + + + + A role borne by a molecule that acts to counteract or neutralize the deleterious effects of paracetamol (acetaminophen). + + PMID:16354242 + PMID:16573399 + PMID:16575097 + PMID:22348679 + PMID:22352734 + PMID:22353666 + PMID:22835053 + PMID:22998987 + PMID:7112203 + chebi_ontology + Tylenol poisoning antidote + Tylenol poisoning antidotes + acetaminophen poisoning antidote + acetaminophen poisoning antidotes + antidote to Tylenol poisoning + antidote to acetaminophen poisoning + antidotes to Tylenol poisoning + antidotes to acetaminophen poisoning + antidotes to paracetamol poisoning + paracetamol poisoning antidote + paracetamol poisoning antidotes + CHEBI:74529 + + antidote to paracetamol poisoning + + + + @@ -68583,6 +86913,40 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. + + Wikipedia:Astringent + chebi_ontology + adstringent + adstringents + astringents + CHEBI:74783 + + astringent + + + + + + + + + + Any organic heterobicyclic compound containing ortho-fused furan and pyran rings. + + chebi_ontology + furopyrans + CHEBI:74927 + + furopyran + + + + @@ -68793,13 +87157,23 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + @@ -68812,6 +87186,37 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections. PMID: 32366720; PMID: 32361588 0 @@ -68829,28 +87234,128 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p HMDB:HMDB0015679 KEGG:D00436 LINCS:LSM-2787 + PMCID:PMC8308039 + PMCID:PMC8508655 + PMID:24900231 + PMID:33325188 + PMID:33772737 + PMID:33855343 + PMID:33860549 + PMID:33870260 + PMID:34038481 + PMID:34209118 + PMID:34332199 + PMID:34386088 + PMID:34429248 + PMID:34482191 + PMID:34483712 + PMID:34512959 + PMID:34517104 + PMID:34572856 + PMID:34638761 PPDB:1929 Pesticides:niclosamide + Reaxys:2820605 VSDB:1929 Wikipedia:Niclosamide 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide chebi_ontology 2',5-dichloro-2-hydroxy-4'-nitrobenzanilide 2',5-dichloro-4'-nitrosalicylanilide + 2-chloro-4-nitrophenylamide-6-chlorosalicylic acid + 2-hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide + 5-chloro-2'-chloro-4'-nitrosalicylanilide + 5-chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide + Atenase + B 2353 + BAY 2353 + Bayer 2353 + Bayer 73 + Bayluscide + Cestocid + Devermin + Devermine + Fedal-Telmin + Fenasal + HL 2447 + Helmiantin + Iomesan + Lintex + Mansonil + Mato + N-(2'-chloro-4'-nitrophenyl)-5-chlorosalicylamide + N-(2-chloro-4-nitrophenyl)-5-chlorosalicylamide + Nasemo Niclocide - cestocide + Phenasal + Radeverm + Sagimid + Sulqui + Tredemine + Utosamide + Vermitid + Vermitin + WR 46234 + Yomesan + Zestocarp clonitralide - niclocide niclosamida niclosamide niclosamidum CHEBI:7553 - + niclosamide + + + + + A ligase inhibitor that interferes with the action of a C-N bond-forming ligase (EC 6.3.*.*). + + chebi_ontology + C--N bond-forming ligase inhibitor + C--N bond-forming ligase inhibitors + C-N bond-forming ligase (EC 6.3.*) inhibitor + C-N bond-forming ligase (EC 6.3.*) inhibitors + C-N bond-forming ligase inhibitor + C-N bond-forming ligase inhibitors + EC 6.3.* (C-N bond-forming ligase) inhibitorS + EC 6.3.* inhibitor + EC 6.3.* inhibitors + EC 6.3.*.* inhibitor + EC 6.3.*.* inhibitors + CHEBI:75600 + + EC 6.3.* (C-N bond-forming ligase) inhibitor + + + + + + + + + Any enzyme inhibitor that interferes with the action of a ligase (EC 6.*.*.*). Ligases are enzymes that catalyse the joining of two molecules with concomitant hydrolysis of the diphosphate bond in ATP or a similar triphosphate. + + Wikipedia:Ligase + chebi_ontology + EC 6.* (ligase) inhibitors + EC 6.* inhibitor + EC 6.* inhibitors + EC 6.*.*.* inhibitor + EC 6.*.*.* inhibitors + ligase inhibitor + ligase inhibitors + CHEBI:75603 + + EC 6.* (ligase) inhibitor + + + + @@ -68948,6 +87453,45 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + Any member of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B) that play important roles in cell metabolism. The group comprises of vitamin B1, B2, B3, B5, B6, B7, B9, and B12 (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such). + + MetaCyc:B-vitamins + PMID:22743781 + PMID:23093174 + PMID:23238962 + PMID:23449527 + PMID:23462586 + PMID:23690582 + Wikipedia:B_vitamin + chebi_ontology + B vitamins + B-group vitamin + B-group vitamins + vitamin B + CHEBI:75769 + + B vitamin + + + + @@ -69006,6 +87550,48 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + A carboxamide resulting from the formal condensation of a carboxylic acid with the nitrogen of an indole. + + chebi_ontology + 1-acylindole + 1-acylindoles + 1-carboacylindole + 1-carboacylindoles + N-acylindoles + N-carboacylindole + N-carboacylindoles + CHEBI:75884 + + N-acylindole + + + + + + + + + + A pyranone based on the structure of 2H-pyran-2-one and its substituted derivatives. + + chebi_ontology + 2-oxo-2H-pyrans + 2-pyrones + 2H-pyran-2-ones + alpha-pyrones + pyran-2-ones + CHEBI:75885 + + 2-pyranones + + + + @@ -69156,6 +87742,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -69178,10 +87770,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p 615.07788 CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O CAS:871700-17-3 + Chemspider:9881833 DrugBank:DB08911 Drug_Central:4802 KEGG:D10175 LINCS:LSM-1143 + PMCID:PMC7715110 PMID:21523318 PMID:22245957 PMID:23035153 @@ -69204,6 +87798,19 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p PMID:23971497 PMID:23977666 PMID:24055054 + PMID:26119340 + PMID:33922284 + PMID:34034619 + PMID:34145930 + PMID:34156985 + PMID:34282746 + PMID:34355652 + PMID:34413035 + PMID:34421360 + PMID:34484797 + PMID:34516041 + PMID:34590600 + PMID:34592184 Patent:WO2005121142 Patent:WO2011038082 Patent:WO2011038085 @@ -69389,6 +87996,213 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2). + + CHEBI:66921 + Wikipedia:Janus_kinase + chebi_ontology + ABL inhibitor + ABL inhibitors + ABL1 inhibitor + ABL1 inhibitors + ABL2 inhibitor + ABL2 inhibitors + ABLL inhibitor + ABLL inhibitors + ACK1 inhibitor + ACK1 inhibitors + ACK2 inhibitor + ACK2 inhibitors + AGMX1 inhibitor + AGMX1 inhibitors + ARG inhibitor + ARG inhibitors + ATK inhibitor + ATK inhibitors + ATP:[protein]-L-tyrosine O-phosphotransferase (non-specific) inhibitor + ATP:[protein]-L-tyrosine O-phosphotransferase (non-specific) inhibitors + BLK inhibitor + BLK inhibitors + BMX inhibitor + BMX inhibitors + BRK inhibitor + BRK inhibitors + BTK inhibitor + BTK inhibitors + BTKL inhibitor + BTKL inhibitors + Bmk inhibitor + Bmk inhibitors + Bruton's tyrosine kinase inhibitor + Bruton's tyrosine kinase inhibitors + Bsk inhibitor + Bsk inhibitors + CAKb inhibitor + CAKb inhibitors + CHK inhibitor + CHK inhibitors + CSK inhibitor + CSK inhibitors + CTK inhibitor + CTK inhibitors + CYL inhibitor + CYL inhibitors + Cdgip inhibitor + Cdgip inhibitors + EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitors + EC 2.7.10.2 inhibitor + EC 2.7.10.2 inhibitors + EMT inhibitor + EMT inhibitors + ETK inhibitor + ETK inhibitors + FAK inhibitor + FAK inhibitors + FAK2 inhibitor + FAK2 inhibitors + FER inhibitor + FER inhibitors + FES inhibitor + FES inhibitors + FGR inhibitor + FGR inhibitors + FPS inhibitor + FPS inhibitors + FRK inhibitor + FRK inhibitors + FYN inhibitor + FYN inhibitors + Fadk inhibitor + Fadk inhibitors + Fert1/2 inhibitor + Fert1/2 inhibitors + HCK inhibitor + HCK inhibitors + HCTK inhibitor + HCTK inhibitors + HYL inhibitor + HYL inhibitors + IMD1 inhibitor + IMD1 inhibitors + ITK inhibitor + ITK inhibitors + IYK inhibitor + IYK inhibitors + JAK1 inhibitor + JAK1 inhibitors + JAK2 inhibitor + JAK2 inhibitors + JAK3 inhibitor + JAK3 inhibitors + JTK1 inhibitor + JTK1 inhibitors + JTK9 inhibitor + JTK9 inhibitors + Janus kinase 1 inhibitor + Janus kinase 1 inhibitors + Janus kinase 2 inhibitor + Janus kinase 2 inhibitors + Janus kinase 3 inhibitor + Janus kinase 3 inhibitors + Janus kinase inhibitor + L-JAK inhibitor + L-JAK inhibitors + LCK inhibitor + LCK inhibitors + LSK inhibitor + LSK inhibitors + LYN inhibitor + LYN inhibitors + MATK inhibitor + MATK inhibitors + Ntk inhibitor + Ntk inhibitors + PKB inhibitor + PKB inhibitors + PSCTK inhibitor + PSCTK inhibitors + PSCTK1 inhibitor + PSCTK1 inhibitors + PSCTK2 inhibitor + PSCTK2 inhibitors + PSCTK4 inhibitor + PSCTK4 inhibitors + PSCTK5 inhibitor + PSCTK5 inhibitors + PTK2 inhibitor + PTK2 inhibitors + PTK2B inhibitor + PTK2B inhibitors + PTK6 inhibitor + PTK6 inhibitors + PYK2 inhibitor + PYK2 inhibitors + RAFTK inhibitor + RAFTK inhibitors + RAK inhibitor + RAK inhibitors + Rlk inhibitor + Rlk inhibitors + SLK inhibitor + SLK inhibitors + SRC inhibitor + SRC inhibitors + SRC2 inhibitor + SRC2 inhibitors + SRK inhibitor + SRK inhibitors + SRM inhibitor + SRM inhibitors + SRMS inhibitor + SRMS inhibitors + STD inhibitor + STD inhibitors + SYK inhibitor + SYK inhibitors + SYN inhibitor + SYN inhibitors + Sik inhibitor + Sik inhibitors + TEC inhibitor + TEC inhibitors + TNK1 inhibitor + TNK1 inhibitors + TXK inhibitor + TXK inhibitors + TYK2 inhibitor + TYK2 inhibitors + TYK3 inhibitor + TYK3 inhibitors + Tck inhibitor + Tck inhibitors + Tsk inhibitor + Tsk inhibitors + YES1 inhibitor + YES1 inhibitors + YK2 inhibitor + YK2 inhibitors + ZAP70 inhibitor + ZAP70 inhibitors + cytoplasmic protein tyrosine kinase inhibitor + cytoplasmic protein tyrosine kinase inhibitors + focal adhesion kinase inhibitor + focal adhesion kinase inhibitors + non-specific protein-tyrosine kinase (EC 2.7.10.2) inhibitor + non-specific protein-tyrosine kinase (EC 2.7.10.2) inhibitors + p60c-src protein tyrosine kinase inhibitor + p60c-src protein tyrosine kinase inhibitors + CHEBI:76617 + + EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor + + + + @@ -69454,6 +88268,27 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A ligase inhibitor that interferes with the action of a C-S bond-forming ligase (EC 6.2.*.*). + + chebi_ontology + C-S bond-forming ligase (EC 6.2.*) inhibitor + C-S bond-forming ligase (EC 6.2.*) inhibitors + C-S bond-forming ligase inhibitor + C-S bond-forming ligase inhibitors + EC 6.2.* (C-S bond-forming ligase) inhibitors + EC 6.2.* inhibitor + EC 6.2.* inhibitors + CHEBI:76707 + + EC 6.2.* (C-S bond-forming ligase) inhibitor + + + + @@ -69499,6 +88334,27 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A lyase inhibitor which inhibits the action of a C-N lyase (EC 4.3.*.*). + + chebi_ontology + C-N lyase (EC 4.3.*) inhibitor + C-N lyase (EC 4.3.*) inhibitors + C-N lyase inhibitor + C-N lyase inhibitors + EC 4.3.* (C-N lyase) inhibitors + EC 4.3.* inhibitor + EC 4.3.* inhibitors + CHEBI:76713 + + EC 4.3.* (C-N lyase) inhibitor + + + + @@ -69581,6 +88437,31 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-CH group of donors (EC 1.3.*.*). + + chebi_ontology + EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitors + EC 1.3.* inhibitor + EC 1.3.* inhibitors + inhibitor of oxidoreductase acting on CH-CH group of donor + inhibitor of oxidoreductase acting on CH-CH group of donors + inhibitors of oxidoreductase acting on CH-CH group of donor + inhibitors of oxidoreductase acting on CH-CH group of donors + oxidoreductase acting on donor CH-CH group (EC 1.3.*) inhibitor + oxidoreductase acting on donor CH-CH group (EC 1.3.*) inhibitors + oxidoreductase acting on donor CH-CH group inhibitor + oxidoreductase acting on donor CH-CH group inhibitors + CHEBI:76729 + + EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor + + + + @@ -69647,6 +88528,31 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on diphenols and related substances as donors (EC 1.10.*.*). + + chebi_ontology + EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitors + EC 1.10.* (oxidoreductases acting on diphenols and related substances as donors) inhibitor + EC 1.10.* (oxidoreductases acting on diphenols and related substances as donors) inhibitors + EC 1.10.* inhibitor + EC 1.10.* inhibitors + inhibitor of an oxidoreductase acting on diphenols and related substances as donor + inhibitor of an oxidoreductase acting on diphenols and related substances as donor (EC 1.10.*) + inhibitor of an oxidoreductase acting on diphenols and related substances as donors + inhibitors of an oxidoreductase acting on diphenols and related substances as donor + inhibitors of an oxidoreductase acting on diphenols and related substances as donor (EC 1.10.*) + inhibitors of an oxidoreductase acting on diphenols and related substances as donors + CHEBI:76737 + + EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor + + + + @@ -69782,6 +88688,27 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A hydrolase inhibitor that interferes with the action of any glycosylase (EC 3.2.*.*). + + chebi_ontology + EC 3.2.* (glycosylase) inhibitors + EC 3.2.* inhibitor + EC 3.2.* inhibitors + glycosylase (EC 3.2.*) inhibitor + glycosylase (EC 3.2.*) inhibitors + glycosylase inhibitor + glycosylase inhibitors + CHEBI:76761 + + EC 3.2.* (glycosylase) inhibitor + + + + @@ -70011,6 +88938,48 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An EC 6.3.* (C-N bond-forming ligase) inhibitor that interferes with the action of any acid-ammonia (or amine) ligase (EC 6.3.1.*). + + chebi_ontology + EC 6.3.1.* (acid-ammonia/amine ligase) inhibitors + EC 6.3.1.* inhibitor + EC 6.3.1.* inhibitors + acid-ammonia (or amine) ligase inhibitor + acid-ammonia (or amine) ligase inhibitors + CHEBI:76823 + + EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor + + + + + + + + + An EC 4.3.* (C-N lyase) inhibitor that interferes with the action of any ammonia-lyase (EC 4.3.1.*). + + chebi_ontology + EC 4.3.1.* (ammonia-lyase) inhibitors + EC 4.3.1.* (ammonia-lyases) inhibitor + EC 4.3.1.* (ammonia-lyases) inhibitors + EC 4.3.1.* inhibitor + EC 4.3.1.* inhibitors + ammonia-lyase (EC 4.3.1.*) inhibitor + ammonia-lyase (EC 4.3.1.*) inhibitors + ammonia-lyase inhibitor + ammonia-lyase inhibitors + CHEBI:76832 + + EC 4.3.1.* (ammonia-lyase) inhibitor + + + + @@ -70137,6 +89106,29 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor that interferes with the action of any such enzyme using NAD(+) or NADP(+) as acceptor (EC 1.3.1.*). + + chebi_ontology + EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor) inhibitor + EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor) inhibitors + EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD(+) or NADP(+) as acceptor) inhibitor + EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD(+) or NADP(+) as acceptor) inhibitors + EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitors + EC 1.3.1.* inhibitor + EC 1.3.1.* inhibitors + oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor (EC 1.3.1.*) inhibitor + oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor (EC 1.3.1.*) inhibitors + CHEBI:76857 + + EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor + + + + @@ -70215,6 +89207,67 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An EC 2.1.* (C1-transferase) inhibitor that interferes with the action of any hydroxymethyl-, formyl- and related transferase (EC 2.1.2.*). + + chebi_ontology + EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitors + EC 2.1.2.* inhibitor + EC 2.1.2.* inhibitors + hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitor + hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitors + CHEBI:76874 + + EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor + + + + + + + + + An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any phosphotransferase with an alcohol group as acceptor (EC 2.7.1.*). + + chebi_ontology + EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitors + EC 2.7.1.* inhibitor + EC 2.7.1.* inhibitors + phosphotransferases with an alcohol group as acceptor (EC 2.7.1.*) inhibitor + phosphotransferases with an alcohol group as acceptor (EC 2.7.1.*) inhibitors + CHEBI:76881 + + EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor + + + + + + + + + An EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes with the action of any aspartic endopeptidase (EC 3.4.23.*). + + chebi_ontology + EC 3.4.23.* (aspartic endopeptidase) inhibitors + EC 3.4.23.* (aspartic endopeptidases) inhibitor + EC 3.4.23.* (aspartic endopeptidases) inhibitors + EC 3.4.23.* inhibitor + EC 3.4.23.* inhibitors + aspartic endopeptidase (EC 3.4.23.*) inhibitor + aspartic endopeptidase (EC 3.4.23.*) inhibitors + aspartic endopeptidases (EC 3.4.23.*) inhibitor + aspartic endopeptidases (EC 3.4.23.*) inhibitors + CHEBI:76885 + + EC 3.4.23.* (aspartic endopeptidase) inhibitor + + + + @@ -70354,6 +89407,23 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus. + + CHEBI:75864 + CHEBI:76958 + chebi_ontology + Aspergillus metabolites + CHEBI:76956 + + Aspergillus metabolite + + + + @@ -70420,6 +89490,79 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any compound produced by a plant that happens to have estrogenic activity. + + Wikipedia:Phytoestrogen + chebi_ontology + phytoestrogens + CHEBI:76989 + + phytoestrogen + + + + + + + + + An EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor that interferes with the action of any such enzyme in the EC 1.10.99.* category. + + chebi_ontology + EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitors + EC 1.10.99.* inhibitor + EC 1.10.99.* inhibitors + oxidoreductases acting on diphenols and related substances as donors, other acceptors (EC 1.10.99.*) inhibitor + oxidoreductases acting on diphenols and related substances as donors, other acceptors (EC 1.10.99.*) inhibitors + CHEBI:77019 + + EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor + + + + + + + + + An EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor that interferes with the action of ribosyldihydronicotinamide dehydrogenase (quinone), EC 1.10.99.2. + + Wikipedia:Ribosyldihydronicotinamide_dehydrogenase_(quinone) + chebi_ontology + 1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide:quinone oxidoreductase inhibitor + 1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide:quinone oxidoreductase inhibitors + EC 1.10.99.2 (ribosyldihydronicotinamide dehydrogenase (quinone)) inhibitor + EC 1.10.99.2 (ribosyldihydronicotinamide dehydrogenase (quinone)) inhibitors + EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitors + EC 1.10.99.2 inhibitor + EC 1.10.99.2 inhibitors + N-ribosyldihydronicotinamide dehydrogenase (quinone) inhibitor + N-ribosyldihydronicotinamide dehydrogenase (quinone) inhibitors + NAD(P)H:quinone oxidoreductase-2 inhibitor + NAD(P)H:quinone oxidoreductase-2 inhibitors + NAD(P)H:quinone oxidoreductase2 inhibitor + NAD(P)H:quinone oxidoreductase2 inhibitors + NQO2 inhibitor + NQO2 inhibitors + NRH:quinone oxidoreductase 2 inhibitor + NRH:quinone oxidoreductase 2 inhibitors + QR2 inhibitor + QR2 inhibitors + quinone reductase 2 inhibitor + quinone reductase 2 inhibitors + ribosyldihydronicotinamide dehydrogenase (quinone) (EC 1.10.99.2) inhibitor + ribosyldihydronicotinamide dehydrogenase (quinone) (EC 1.10.99.2) inhibitors + CHEBI:77020 + + EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor + + + + @@ -70568,6 +89711,58 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of pantothenate kinase (EC 2.7.1.33). + + Wikipedia:Pantothenate_kinase + chebi_ontology + ATP:(R)-pantothenate 4'-phosphotransferase inhibitor + ATP:(R)-pantothenate 4'-phosphotransferase inhibitors + ATP:pantothenate 4'-phosphotransferase inhibitor + ATP:pantothenate 4'-phosphotransferase inhibitors + D-pantothenate kinase inhibitor + D-pantothenate kinase inhibitors + EC 2.7.1.33 (pantothenate kinase) inhibitors + EC 2.7.1.33 inhibitor + EC 2.7.1.33 inhibitors + pantothenate kinase (EC 2.7.1.33) inhibitor + pantothenate kinase (EC 2.7.1.33) inhibitors + pantothenate kinase (phosphorylating) inhibitor + pantothenate kinase (phosphorylating) inhibitors + pantothenic acid kinase inhibitor + pantothenic acid kinase inhibitors + CHEBI:77194 + + EC 2.7.1.33 (pantothenate kinase) inhibitor + + + + + + + + + An EC 3.4.24.* (metalloendopeptidase) inhibitor that interferes with the action of anthrax lethal factor endopeptidase (EC 3.4.24.83). + + Wikipedia:Anthrax_lethal_factor_endopeptidase + chebi_ontology + EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitors + EC 3.4.24.83 inhibitor + EC 3.4.24.83 inhibitors + anthrax lethal factor endopeptidase (EC 3.4.24.83) inhibitor + anthrax lethal factor endopeptidase (EC 3.4.24.83) inhibitors + lethal toxin inhibitor + lethal toxin inhibitors + CHEBI:77255 + + EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor + + + + @@ -70583,6 +89778,102 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4. + Reference: PMID: 33364957 + + 0 + C17H20N4S + InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 + KVWDHTXUZHCGIO-UHFFFAOYSA-N + 312.434 + 312.14087 + N1=C(C2=C(NC3=CC=CC=C13)SC(=C2)C)N4CCN(CC4)C + CAS:132539-06-1 + DrugBank:DB00334 + Drug_Central:1982 + KEGG:C07322 + KEGG:D00454 + PMID:18022155 + PMID:18504690 + PMID:18792627 + Patent:EP454436 + Patent:US5229382 + Reaxys:7655141 + Wikipedia:Olanzapine + 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine + Olanzapine + chebi_ontology + Zyprexa + olanzapina + olanzapine + olanzapinum + CHEBI:7735 + + olanzapine + + + + @@ -70613,6 +89904,269 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any dicarboxylic acid monoamide; major species at pH 7.3. + + -1 + C2H2NO3R + 88.042 + 88.00347 + NC(=O)[*]C([O-])=O + MetaCyc:DICARBOXYLIC-ACID-MONOAMIDES + chebi_ontology + a monoamide of a dicarboxylate + CHEBI:77450 + + dicarboxylic acid monoamide(1-) + + + + + + + + + An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of histidine ammonia-lyase (EC 4.3.1.3). + + Wikipedia:Histidine_ammonia-lyase + chebi_ontology + EC 4.3.1.3 (histidine ammonia-lyase) inhibitors + EC 4.3.1.3 inhibitor + EC 4.3.1.3 inhibitors + L-histidine ammonia-lyase (urocanate-forming) inhibitor + L-histidine ammonia-lyase (urocanate-forming) inhibitors + L-histidine ammonia-lyase inhibitor + L-histidine ammonia-lyase inhibitors + histidase inhibitor + histidase inhibitors + histidinase inhibitor + histidinase inhibitors + histidine alpha-deaminase inhibitor + histidine alpha-deaminase inhibitors + histidine ammonia-lyase (EC 4.3.1.3) inhibitor + histidine ammonia-lyase (EC 4.3.1.3) inhibitors + histidine ammonia-lyase inhibitor + histidine ammonia-lyase inhibitors + CHEBI:77703 + + EC 4.3.1.3 (histidine ammonia-lyase) inhibitor + + + + + + + + + + + + A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. + + 0 + C27H38N2O4 + InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 + SGTNSNPWRIOYBX-UHFFFAOYSA-N + 454.60160 + 454.28316 + COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC + CAS:52-53-9 + KEGG:C07188 + KEGG:D02356 + LINCS:LSM-1298 + 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile + chebi_ontology + CHEBI:77733 + + 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile + + + + + + + + + + + + + + + + + + + + + + + + + + + A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has R configuration. It competitively inhibits the multidrug resistance efflux pump P-glycoprotein (MDR-1, EC 3.6.3.44), thereby potentially increasing the effectiveness of a wide range of antineoplastic drugs which are inactivated by MDR-1 mechanisms. Dexverapamil exhibits lower calcium antagonistic activity and toxicity than racemic verapamil. + + 0 + C27H38N2O4 + InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1 + SGTNSNPWRIOYBX-HHHXNRCGSA-N + 454.60160 + 454.28316 + COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC + CAS:38321-02-7 + PMID:7636539 + PMID:8698736 + PMID:8698738 + PMID:8698739 + PMID:8698740 + PMID:8712693 + Reaxys:3657914 + (2R)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile + chebi_ontology + (+)-(2R)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile + (+)-(R)-5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile + (+)-(R)-verapamil + (+)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile + (+)-3-(3,4-dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile + (+)-verapamil + (2R)-(+)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile + (R)-(+)-verapamil + (R)-verapamil + dexverapamil + dexverapamilo + dexverapamilum + CHEBI:77734 + + dexverapamil + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration. + Reference: PMID: 17646169 + + 0 + C27H38N2O4 + InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m0/s1 + SGTNSNPWRIOYBX-MHZLTWQESA-N + 454.60160 + 454.28316 + COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC + Reaxys:5314473 + (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile + chebi_ontology + (-)-(S)-verapamil + (-)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile + (-)-verapamil + (S)-(-)-verapamil + CHEBI:77736 + + (S)-verapamil + + + + + + + + + + + + + + + + + + + + + An ammonium ion resulting from the protonation of the tertiary amino group of dexverapamil. + + +1 + C27H39N2O4 + InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/p+1/t27-/m1/s1 + SGTNSNPWRIOYBX-HHHXNRCGSA-O + 455.60900 + 455.29043 + COc1ccc(CC[NH+](C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC + (4R)-4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexan-1-aminium + chebi_ontology + (R)-verapamil(1+) + CHEBI:77737 + + dexverapamil(1+) + + + + + + + + + + + + + + + + + + + + + An ammonium ion resulting from the protonation of the tertiary amino group of (S)-verapamil. + + (4S)-4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexan-1-aminium + (S)-verapamil(1+) + chebi_ontology + CHEBI:77738 + + (S)-verapamil(1+) + + + + @@ -70633,6 +90187,44 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of xenobiotic-transporting ATPase (EC 3.6.3.44). + + Wikipedia:Xenobiotic-transporting_ATPase + chebi_ontology + ATP phosphohydrolase (steroid-exporting) inhibitor + ATP phosphohydrolase (steroid-exporting) inhibitors + ATP phosphohydrolase (xenobiotic-exporting) inhibitor + ATP phosphohydrolase (xenobiotic-exporting) inhibitors + EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitors + EC 3.6.3.44 inhibitor + EC 3.6.3.44 inhibitors + MDR protein inhibitor + MDR protein inhibitors + P-glycoprotein inhibitor + P-glycoprotein inhibitors + PDR protein inhibitor + PDR protein inhibitors + multidrug-resistance protein inhibitor + multidrug-resistance protein inhibitors + pleiotropic-drug-resistance protein inhibitor + pleiotropic-drug-resistance protein inhibitors + steroid-transporting ATPase inhibitor + steroid-transporting ATPase inhibitors + xenobiotic-transporting ATPase (EC 3.6.3.44) inhibitor + xenobiotic-transporting ATPase (EC 3.6.3.44) inhibitors + xenobiotic-transporting ATPase inhibitor + xenobiotic-transporting ATPase inhibitors + CHEBI:77748 + + EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor + + + + @@ -70794,6 +90386,54 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + Any saturated fatty acid anion containing 4 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. + + -1 + C4H7O2 + 87.09718 + 87.04460 + [O-]C([*])=O + chebi_ontology + fatty acid 4:0 + CHEBI:78115 + + fatty acid anion 4:0 + + + + + + + + + + Any saturated fatty acid anion containing 6 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. + + -1 + C6H11O2 + 115.15034 + 115.07590 + [O-]C([*])=O + chebi_ontology + fatty acid 6:0 + CHEBI:78116 + + fatty acid anion 6:0 + + + + @@ -70986,6 +90626,86 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A benzamide obtained by the formal condensation of the carboxy group of 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoic acid with the anilino group of 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline. + Reference: PMID: 25801024 + + 0 + C29H27F3N6O + InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39) + PHXJVRSECIGDHY-UHFFFAOYSA-N + 532.55950 + 532.21984 + CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 + CAS:943319-70-8 + Drug_Central:4716 + KEGG:D09950 + LINCS:LSM-1151 + PMID:24297701 + PMID:24402926 + PMID:24407160 + PMID:24408322 + PMID:24472312 + PMID:24481648 + PMID:24550512 + PMID:24552773 + PMID:24586514 + PMID:24596204 + PMID:24602068 + PMID:24695735 + PMID:24729118 + PMID:24756787 + PMID:24766374 + PMID:24768818 + PMID:24807266 + PMID:24934866 + Patent:US2014038920 + Reaxys:12923700 + Wikipedia:Ponatinib + 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide + chebi_ontology + AP 24534 + AP24534 + ponatinib + ponatinibum + CHEBI:78543 + + ponatinib + + + + @@ -71342,6 +91062,88 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A pentapeptide isolated from Streptomyces testaceus. It is a potent inhibitor of aspartyl proteases. + Reference: PMID: 32253787 + + 0 + C34H63N5O9 + InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1 + FAXGPCHRFPCXOO-LXTPJMTPSA-N + 685.904 + 685.46258 + CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O + CHEBI:43324 + CAS:26305-03-3 + KEGG:C00773 + KEGG:D03818 + KNApSAcK:C00018785 + LINCS:LSM-2282 + PDBeChem:IHN + PMID:16633575 + PMID:16762607 + PMID:18675276 + PMID:19401235 + PMID:21344392 + PMID:22205353 + PMID:22384266 + PMID:22804908 + PMID:22890034 + PMID:26524537 + PMID:30408092 + PMID:30658511 + PMID:31130231 + PMID:31374272 + PMID:31718885 + PMID:4600212 + PMID:6115767 + Reaxys:2201362 + Wikipedia:Pepstatin + N-(3-methylbutanoyl)-L-valyl-N-[(3S,4S)-1-{[(2S)-1-{[(2S,3S)-1-carboxy-2-hydroxy-5-methylhexan-3-yl]amino}-1-oxopropan-2-yl]amino}-3-hydroxy-6-methyl-1-oxoheptan-4-yl]-L-valinamide + chebi_ontology + (3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-methyl-4-[(2S)-3-methyl-2-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]butanamido]heptanamido]propanamido]-6-methylheptanoic acid + ahpatinin C + pepsin inhibitor S 735A + pepstatin + pepstatina + pepstatine + pepstatinum + procidin S 735A + CHEBI:7989 + + pepstatin A + + + + @@ -71547,6 +91349,213 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group. + Reference: PMID: 33403480 + + 0 + C28H29F2N3O + InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) + YVUQSNJEYSNKRX-UHFFFAOYSA-N + 461.54620 + 461.22787 + Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 + Beilstein:729089 + CAS:2062-78-4 + DrugBank:DB01100 + Drug_Central:2172 + HMDB:HMDB0015232 + KEGG:C07566 + KEGG:D00560 + LINCS:LSM-2001 + Reaxys:729089 + Wikipedia:Pimozide + 1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one + Pimozide + pimozide + chebi_ontology + Halomonth + Neoperidole + Opiran + Orap + pimozida + pimozide + pimozidum + CHEBI:8212 + + pimozide + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity. + Reference: PMID: 27510639 + + 0 + C19H20N2O3S + InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23) + HYAFETHFCAUJAY-UHFFFAOYSA-N + 356.43978 + 356.11946 + CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 + Beilstein:3595485 + CAS:111025-46-8 + Chemspider:4663 + DrugBank:DB01132 + Drug_Central:2179 + HMDB:HMDB0015264 + KEGG:C07675 + KEGG:D08378 + LINCS:LSM-1592 + PMID:12879407 + PMID:14522601 + PMID:17628757 + PMID:18215232 + PMID:20797618 + PMID:27842070 + PMID:33798599 + PMID:33864097 + PMID:33983968 + PMID:33995271 + PMID:34006325 + PMID:34009030 + Patent:EP193256 + Patent:US4687777 + Reaxys:3595485 + Wikipedia:Pioglitazone + 5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione + Pioglitazone + chebi_ontology + (+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-2,4-thiazolidinedione + pioglitazona + pioglitazone + pioglitazonum + CHEBI:8228 + + pioglitazone + + + + @@ -71925,6 +91934,127 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An EC 6.2.* (C-S bond-forming ligase) inhibitor that interferes with the action of an acid-thiol ligase inhibitor (EC 6.2.1.*). + + chebi_ontology + EC 6.2.1.* (acid-thiol ligase) inhibitors + EC 6.2.1.* (acid-thiol ligases) inhibitor + EC 6.2.1.* (acid-thiol ligases) inhibitors + EC 6.2.1.* inhibitor + EC 6.2.1.* inhibitors + CHEBI:83156 + + EC 6.2.1.* (acid-thiol ligase) inhibitor + + + + + + + + + An EC 6.2.1.* (acid-thiol ligase) inhibitor that interferes with the action of a long-chain-fatty-acid--CoA ligase (EC 6.2.1.3). + + Wikipedia:Long-chain-fatty-acid-CoA_ligase + chebi_ontology + ACS3 inhibitor + ACS3 inhibitors + EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitors + EC 6.2.1.3 inhibitor + EC 6.2.1.3 inhibitors + FAA1 inhibitor + FAA1 inhibitors + LCFA synthetase inhibitor + LCFA synthetase inhibitors + acyl coenzyme A synthetase inhibitor + acyl coenzyme A synthetase inhibitors + acyl-CoA ligase inhibitor + acyl-CoA ligase inhibitors + acyl-CoA synthetase inhibitor + acyl-CoA synthetase inhibitors + acyl-activating enzyme inhibitor + acyl-activating enzyme inhibitors + acyl-coenzyme A ligase inhibitor + acyl-coenzyme A ligase inhibitors + arachidonyl-CoA synthetase inhibitor + arachidonyl-CoA synthetase inhibitors + fatty acid CoA ligase inhibitor + fatty acid CoA ligase inhibitors + fatty acid elongase inhibitor + fatty acid elongase inhibitors + fatty acid thiokinase (long chain) inhibitor + fatty acid thiokinase (long chain) inhibitors + fatty acyl-coenzyme A synthetase inhibitor + fatty acyl-coenzyme A synthetase inhibitors + lignoceroyl-CoA synthase inhibitor + lignoceroyl-CoA synthase inhibitors + long chain fatty acyl-CoA synthetase inhibitor + long chain fatty acyl-CoA synthetase inhibitors + long-chain acyl CoA synthetase inhibitor + long-chain acyl CoA synthetase inhibitors + long-chain acyl-CoA synthetase I inhibitor + long-chain acyl-CoA synthetase I inhibitors + long-chain acyl-CoA synthetase II inhibitor + long-chain acyl-CoA synthetase II inhibitors + long-chain acyl-coenzyme A synthetase inhibitor + long-chain acyl-coenzyme A synthetase inhibitors + long-chain fatty acid:CoA ligase (AMP-forming) inhibitor + long-chain fatty acid:CoA ligase (AMP-forming) inhibitors + long-chain fatty acyl coenzyme A synthetase inhibitor + long-chain fatty acyl coenzyme A synthetase inhibitors + oleoyl-CoA synthetase inhibitor + oleoyl-CoA synthetase inhibitors + palmitoyl coenzyme A synthetase inhibitor + palmitoyl coenzyme A synthetase inhibitors + palmitoyl-CoA ligase inhibitor + palmitoyl-CoA ligase inhibitors + palmitoyl-CoA synthase inhibitor + palmitoyl-CoA synthase inhibitors + pristanoyl-CoA synthetase inhibitor + pristanoyl-CoA synthetase inhibitors + stearoyl-CoA synthetase inhibitor + stearoyl-CoA synthetase inhibitors + thiokinase inhibitor + thiokinase inhibitors + CHEBI:83157 + + EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor + + + + + + + + + + + + + + + An alpha-amino-acid residue derived from an L-alpha-amino acid. + + 0 + C2H2NOR + 56.04340 + 56.01364 + [*][C@H](N-*)C(-*)=O + L-alpha-amino acid residue + chebi_ontology + L-alpha-amino acid residues + an L-alpha amino acid residue + CHEBI:83228 + + L-alpha-amino acid residue + + + + @@ -72035,6 +92165,85 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine. + Reference: PMID: 18020435 + + 0 + C26H31N3O5 + InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32) + NDAZATDQFDPQBD-UHFFFAOYSA-N + 465.54140 + 465.22637 + CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O + CAS:747412-49-3 + PMID:22286776 + PMID:22523597 + PMID:22619113 + PMID:22753713 + PMID:22810956 + PMID:23016912 + PMID:23064324 + PMID:23196876 + PMID:23340178 + PMID:23356405 + PMID:23493311 + PMID:24090817 + PMID:24551261 + PMID:24796583 + PMID:25027745 + PMID:25072314 + PMID:25085789 + PMID:25263741 + Reaxys:12046798 + Wikipedia:NVP-AUY922 + 5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide + chebi_ontology + NVP-AUY922 + CHEBI:83656 + + luminespib + + + + @@ -72045,6 +92254,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + @@ -72164,6 +92374,23 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any derivative of a non-proteinogenic amino acid resulting from reaction at an amino group or carboxy group, or from the replacement of any hydrogen by a heteroatom. + + chebi_ontology + non-canonical amino acid derivative + non-canonical amino-acid derivatives + non-proteinogenic amino-acid derivatives + CHEBI:83812 + + non-proteinogenic amino acid derivative + + + + @@ -72183,6 +92410,21 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + Any organonitrogen heterocyclic compound based on a morphinan skeleton. These are synthetic or semi-synthetic compounds that resemble the morphinane (opioid) alkaloids in their pharmacological effects. + + chebi_ontology + morphinane-like compopunds + CHEBI:83818 + + morphinane-like compound + + + + @@ -72226,6 +92468,45 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O-1 by a biphenyl-4-yl group. + Reference: PMID: 22784008 + + 0 + C20H23N3O2 + InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3 + VGPIBGGRCVEHQZ-UHFFFAOYSA-N + 337.41550 + 337.17903 + CC(C)(C)C(O)C(Oc1ccc(cc1)-c1ccccc1)n1cncn1 + PPDB:84 + 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol + chebi_ontology + CHEBI:83851 + + 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol + + + + @@ -72290,6 +92571,66 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + A methyl-branched fatty acid anion obtained by deprotonation of the carboxy group of any 2-methyl fatty acid; major species at pH 7.3. + + -1 + C3H4O2R + 72.063 + 72.02113 + CC([*])C([O-])=O + chebi_ontology + 2-methyl fatty acid(1-) + 2-methyl-branched fatty acid anion + 2-methyl-branched fatty acid(1-) + a 2-methyl fatty acid + CHEBI:83976 + + 2-methyl fatty acid anion + + + + + + + + + + + + + + + + A proteinogenic amino acid derivative resulting from reaction of L-glutamic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen of L-glutamic acid by a heteroatom. + + chebi_ontology + L-glutamic acid derivatives + CHEBI:83982 + + L-glutamic acid derivative + + + + + + + + + Any metabolite (endogenous or exogenous) found in human urine samples. + + chebi_ontology + human urinary metabolites + CHEBI:84087 + + human urinary metabolite + + + + @@ -72356,6 +92697,45 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + A proteinogenic amino acid derivative resulting from reaction of L-proline at the amino group or the carboxy group, or from the replacement of any hydrogen of L-proline by a heteroatom. + + chebi_ontology + L-proline derivatives + CHEBI:84186 + + L-proline derivative + + + + + + + + + + + Any organic heterotricyclic compound constructed from fused thiophene, triazole and diazepeine rings. + + chebi_ontology + thienotriazolodiazepines + CHEBI:84232 + + thienotriazolodiazepine + + + + @@ -72558,6 +92938,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -72598,6 +92984,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p PMID: 24841273 0 + C17H20N2S.ClH C17H20N2S.HCl C17H21ClN2S InChI=1S/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H @@ -72607,7 +92994,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p Cl.CC(CN1c2ccccc2Sc2ccccc12)N(C)C Beilstein:4166397 CAS:58-33-3 - DrugBank:DB01069 + DrugBank:DBSALT000427 KEGG:D00480 PMID:20541454 PMID:21125640 @@ -72616,6 +93003,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p PMID:21871787 PMID:22119804 PMID:22346617 + PMID:24134630 PMID:6196640 Reaxys:4166397 N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine hydrochloride @@ -72727,6 +93115,38 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cAMP-dependent protein kinase (EC 2.7.11.11). + + Wikipedia:Protein_kinase_A + chebi_ontology + ATP:protein phosphotransferase (cAMP-dependent) inhibitor + ATP:protein phosphotransferase (cAMP-dependent) inhibitors + EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitors + EC 2.7.11.11 inhibitor + EC 2.7.11.11 inhibitors + PKA C inhibitor + PKA C inhibitors + PKA inhibitor + PKA inhibitors + STK22 inhibitor inhibitor + STK22 inhibitors inhibitors + cAMP-dependent protein kinase (EC 2.7.11.11) inhibitor + cAMP-dependent protein kinase (EC 2.7.11.11) inhibitors + cAMP-dependent protein kinase inhibitor + cAMP-dependent protein kinase inhibitors + protein kinase A inhibitor + protein kinase A inhibitors + CHEBI:85094 + + EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor + + + + @@ -72787,6 +93207,7 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + @@ -73130,6 +93551,90 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + An inhibitor of signal transducer and activator of transcription 3 (STAT3) + + Wikipedia:STAT3 + chebi_ontology + STAT3 inhibitors + signal transducer and activator of transcription 3 inhibitor + signal transducer and activator of transcription 3 inhibitors + CHEBI:87183 + + STAT3 inhibitor + + + + + + + + + + + + + + + + + + + + + Any organooxygen compound whose structure is related to compactin (mevastatin) and which may be used as an anticholesteremic drug due its EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitory properties. + + PMID:1464741 + PMID:15531285 + PMID:20467214 + PMID:25488134 + PMID:25655639 + PMID:25808421 + PMID:25894795 + PMID:26002574 + Wikipedia:Statin + chebi_ontology + statins + CHEBI:87631 + + statin + + + + + + + + + + + + + + + Any statin that occurs in nature. The class includes compactin (also known as mevastatin), isolated from a fermentation broth of Penicillium citrinum, and lovastatin, isolated from Aspergillus terreus. + + PMID:1464741 + PMID:20467214 + PMID:21697731 + PMID:22060290 + PMID:22302254 + Patent:WO9832751 + chebi_ontology + naturally occurring statin + naturally occurring statins + statins (naturally occurring) + CHEBI:87632 + + statin (naturally occurring) + + + + @@ -73449,6 +93954,34 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + A guanidinium ion obtained by monoprotonation of metformin. + + +1 + C4H12N5 + InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)/p+1 + XZWYZXLIPXDOLR-UHFFFAOYSA-O + 130.172 + 130.10872 + NC(=N)NC(=N)N(C)C.[H+] + chebi_ontology + metformin cation + CHEBI:90688 + + metformin(1+) + + + + @@ -73468,6 +94001,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -73503,8 +94042,14 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p 377.09981 S(C=1C=CC(C2=NC(C=3C=CN=CC3)=C(N2)C4=CC=C(C=C4)F)=CC1)(C)=O CAS:152121-47-6 + HMDB:HMDB0244686 LINCS:LSM-1168 + PMID:11192367 PMID:11457647 + PMID:11889071 + PMID:15695561 + PMID:19336000 + PMID:22363408 PMID:24563432 PMID:25172309 PMID:25242011 @@ -73523,7 +94068,13 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p PMID:26350014 PMID:26423029 PMID:26537343 + PMID:30094758 + PMID:31410128 + PMID:31645486 + PMID:32626961 + PMID:9786874 Reaxys:8078222 + Wikipedia:SB_203580 4-{4-(4-fluorophenyl)-2-[4-(methanesulfinyl)phenyl]-1H-imidazol-5-yl}pyridine chebi_ontology 4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)-1H-imidazole @@ -73551,6 +94102,59 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + An alpha-amino-acid residue anion obtained by deprotonation of the carboxy group of any C-terminal proteinogenic amino acid. + + -1 + C2H2NO2R + 72.043 + 72.00855 + N([C@H](C([O-])=O)*)* + chebi_ontology + C-terminal proteinogenic amino-acid residue + CHEBI:90782 + + C-terminal proteinogenic amino-acid residue(1-) + + + + + + + + + + + + + + + Any peptide zwitterion comprising two amino acid residues. Major structure at pH 7.3. + + 0 + C4H6N2O3R2 + 130.102 + 130.03784 + [NH3+]C(C(NC(C([O-])=O)*)=O)* + chebi_ontology + a dipeptide + CHEBI:90799 + + dipeptide zwitterion + + + + @@ -73577,6 +94181,40 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + Reference: PMID: 21651476 + + 0 + C15H15N7O + InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19) + GYLDXIAOMVERTK-UHFFFAOYSA-N + 309.326 + 309.13381 + CC(C)N1C2=C(C(=N1)C3=CC4=C(C=C3)OC(=N4)N)C(=NC=N2)N + LINCS:LSM-1206 + chebi_ontology + CHEBI:91450 + + 5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine + + + + @@ -73599,6 +94237,30 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + @@ -73617,6 +94279,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + @@ -73647,8 +94315,15 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent. PMID: 25487801; PMID: 26868298 + Reference: PMID: 15896331 https://www.drugbank.ca/drugs/DB00877 0 @@ -73669,9 +94344,12 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p KNApSAcK:C00018055 LIPID_MAPS_instance:LMPK06000003 PDBeChem:RAP + PMID:19587680 PMID:22960739 PMID:22981852 PMID:22984623 + PMID:24341993 + PMID:24409289 Reaxys:5848501 Wikipedia:Rapamycin (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone @@ -73691,10 +94369,121 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 14978511 + + 0 + C21H27N3 + InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3 + GUDVQJXODNJRIJ-UHFFFAOYSA-N + 321.460 + 321.22050 + CC1CN(CC(N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42 + LINCS:LSM-1693 + chebi_ontology + CHEBI:91796 + + 9-[3-(3,5-dimethyl-1-piperazinyl)propyl]carbazole + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 31170174 + + 0 + C15H22Cl2N2 + InChI=1S/C15H22Cl2N2/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13/h4-5,12H,2-3,6-11H2,1H3 + ASGIQUHBAVIOTI-UHFFFAOYSA-N + 301.255 + 300.11600 + CN(CCC1=CC(=C(C=C1)Cl)Cl)CCN2CCCC2 + LINCS:LSM-2367 + chebi_ontology + CHEBI:92304 + + 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(1-pyrrolidinyl)ethyl]ethanamine + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 26004528 0 C21H27NO2 @@ -73780,6 +94569,103 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 22711801 + + 0 + C20H24ClNO + InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2 + FLNXBVJLPJNOSI-UHFFFAOYSA-N + 329.864 + 329.15464 + C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl + CAS:3703-76-2 + Drug_Central:707 + LINCS:LSM-5161 + chebi_ontology + cloperastine HCl + cloperastine fendizoate + cloperastine hydrochloride + CHEBI:94448 + + 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Reference: PMID: 3768695 + + 0 + C20H31NO3 + InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3 + CFJMRBQWBDQYMK-UHFFFAOYSA-N + 333.466 + 333.23039 + CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2 + CAS:77-23-6 + Drug_Central:494 + LINCS:LSM-5240 + chebi_ontology + carbetapentane + carbetapentane citrate + pentoxiverine + pentoxyverine citrate + CHEBI:94484 + + 1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester + + + + @@ -73941,20 +94827,102 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted by a 1-[3-(cyanomethyl)-1-(ethanesulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl group at position 5. It is an FDA approved selective Janus Kinase 1 and 2 (JAK1 and JAK2) inhibitor used for the treatment of rheumatoid arthritis. 0 C16H17N7O2S InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20) XUZMWHLSFXCVMG-UHFFFAOYSA-N - 371.419 + 371.420 371.11644 - CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3 + CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1 + CAS:1187594-09-7 + Chemspider:26373084 + DrugBank:DB11817 + HMDB:HMDB0248873 + KEGG:D10308 LINCS:LSM-6709 - chebi_ontology + PDBeChem:3JW + PMCID:PMC8606629 + PMID:26853940 + PMID:27910962 + PMID:30036348 + PMID:30871014 + PMID:30907116 + PMID:32856090 + PMID:33451175 + PMID:33456084 + PMID:33502499 + PMID:33870531 + PMID:33961266 + PMID:34110416 + PMID:34195587 + PMID:34237007 + PMID:34247230 + PMID:34250455 + PMID:34321249 + PMID:34358107 + PMID:34379541 + PMID:34393789 + PMID:34424311 + PMID:34468689 + PMID:34501467 + PMID:34553429 + PMID:34647989 + PMID:34747511 + PMID:34785883 + Wikipedia:Baricitinib + {1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile + chebi_ontology + 1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile + 2-(3-(4-(3H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile + INCB 028050 + INCB-028050 + INCB028050 + LY 3009104 + LY-3009104 + LY3009104 + Olumiant + baricitinib + baricitinibum CHEBI:95341 - - 2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]-3-azetidinyl]acetonitrile + + baricitinib @@ -74502,6 +95470,40 @@ The range of this relation is a microbe (a bacterium, a virus, a fungus, and a p + + + + + + + + + + + + + + + + + Reference: PMID: 34900714 + + 0 + C28H29N3O5 + InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21+,23+,25-,27-/m1/s1 + SNGIXDWGPLKZOT-QEJRMIRFSA-N + 487.548 + 487.21072 + C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5 + LINCS:LSM-8591 + chebi_ontology + CHEBI:97212 + + N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide + + + + @@ -75131,6 +96133,32 @@ Reference: https://en.wikipedia.org/wiki/Severe_acute_respiratory_syndrome + + + + CFDA + China Food and Drug Administration + NMPA + National Medical Products Administration of China + 国家药品监督管理局 + https://en.wikipedia.org/wiki/National_Medical_Products_Administration + National Medical Products Administration + + + + + + + + + a COVID-19 diagnostic testing device that is authorized by the National Medical Products Administratoin (NMPA) to use in China + Oliver He, Yi-Wei Tang + NMPA authorized COVID-19 diagnostic testing device + + + + @@ -75298,6 +96326,44 @@ Reference: https://www.cdc.gov/coronavirus/2019-ncov/symptoms-testing/symptoms.h + + + + + + + + + + + Novel coronavirus 2019-nCoV nucleic acid detection kit (fluorescence PCR method) (Zhejiang Dongfang Gene Biological Products Co., Ltd.) + Approved ID: 国械注准20203400520 + Manufacturor: Zhejiang Dongfang Gene Biological Products Co., Ltd. 浙江东方基因生物制品股份有限公司 + Usage: 本试剂盒用于体外定性检测新型冠状病毒肺炎疑似病例、聚集性病例、其他需要进行新型冠状病毒感染诊断或鉴别诊断者的咽拭子和痰液样本中，新型冠状病毒（2019-nCoV）ORF1ab和N基因。 + 2019-nCoV fluorescence PCR kit (Zhejiang Dongfang Gene Biological Products Co., Ltd.) + + + + + + + + + + + + + + + Novel coronavirus 2019-nCoV nucleic acid detection kit (fluorescence PCR method) (Shanghai Fosun Long March Medical Science Co., Ltd.) + Approved ID: 国械注准20203400299 + Manufacturor: Shanghai Fosun Long March Medical Science Co., Ltd. 上海复星长征医学科学有限公司 + Usage: 本试剂盒用于体外定性检测新型冠状病毒感染的肺炎疑似病例、疑似聚集性病例患者、其他需要进行新型冠状病毒感染诊断或鉴别诊断者的咽拭子、痰液样本中，新型冠状病毒（2019-nCoV）ORF1ab 和 N 基因、E 基因。 + 2019-nCoV fluorescence PCR kit (Shanghai Fosun Long March Medical Science Co., Ltd.) + + + + @@ -76749,6 +97815,14 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b + + + + + + + A SARS-CoV-2 viral process that causes the fusion of host cells into multinucleated syncytal complexes. + PMID: 33051876 SARS-CoV-2 viral process to host @@ -77247,7 +98321,10 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b An AA variant that occurs in a SARS-CoV-2 viral proteome Oliver He, Anthony Huffman + AA variant in SARS-CoV-2 + https://www.science.org/doi/10.1126/science.abl6184 AA variant in SARS-CoV-2 + SARS-CoV-2 amino acid variant @@ -77255,7 +98332,7 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b - + @@ -77268,27 +98345,73 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 614 + A SARS-CoV-2 amino acid variant that is located at the position 614 in the Wuhan reference strain S protein, and has been changed from D in the reference protein to the G residue. The Spike D614G amino acid change is caused by an A-to-G nucleotide mutation at position 23,403 (A23403G) in the Wuhan reference strain; it was the only site identified in our first Spike variation analysis in early March 2020 that met our threshold criterion. Oliver He + D614G + D614G in SARS-CoV-2 spike-protein D614G, S-D614G + S-D614G https://www.cell.com/cell/pdf/S0092-8674(20)30820-5.pdf https://www.gisaid.org/references/statements-clarifications/clade-and-lineage-nomenclature-aids-in-genomic-epidemiology-of-active-hcov-19-viruses/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7387429/ @@ -77301,6 +98424,12 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b + + + + + + @@ -77313,14 +98442,21 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b + + + + + + 57 - An aa-changing SNP variant of G25563T that occurs in the ORF3a protein of a SARS-CoV-2 virus. It is a signature variant of SARS-CoV-2 clade GH. + An aa-changing SNP variant of G25563T that occurs in the ORF3a protein of a SARS-CoV-2 virus. It is a characteristic mutation of SARS-CoV-2 clade GH. Oliver He + NS3-Q57H Q57H https://www.gisaid.org/references/statements-clarifications/clade-and-lineage-nomenclature-aids-in-genomic-epidemiology-of-active-hcov-19-viruses/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7387429/ @@ -77332,18 +98468,31 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b - + + + + + + + 203 + + + + 204 + + + + - - - - - - - - - + + + + + + + + @@ -77360,15 +98509,23 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b - - 203 + + + + + + + + An aa-changing SNP triplet GGG28881AAC that occurs in a Nucleocapsid protein of a SARS-CoV-2 virus. This mutations AA at positions in 203 and 204 into lysine and arginene. It is a signature variant of SARS-CoV-2 clade GR. + An aa-changing SNP triplet GGG28881AAC that occurs in a Nucleocapsid protein of a SARS-CoV-2 virus.It is a signature variant of SARS-CoV-2 clade GR. Oliver He RG203KR https://www.gisaid.org/references/statements-clarifications/clade-and-lineage-nomenclature-aids-in-genomic-epidemiology-of-active-hcov-19-viruses/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7387429/ + N-RG203KR RG203KR in SARS-CoV-2 N protein @@ -77377,7 +98534,7 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b - + @@ -77386,8 +98543,14 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b - - + + + + + + + + @@ -77396,6 +98559,12 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b + + + + + + @@ -77405,9 +98574,11 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b ORF8-L84S is SNP variant that occurs at T28144C at ORF8 protein, which is shown in a SARS-CoV-2 clade S variant virus. Oliver He ORF8-L84S, NS8-L84S + https://cov-lineages.org/ https://www.gisaid.org/references/statements-clarifications/clade-and-lineage-nomenclature-aids-in-genomic-epidemiology-of-active-hcov-19-viruses/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7387429/ - L84S in SARS-CoV-2 S protein + L84S in SARS-CoV-2 NS8 protein + NS8-L84S @@ -77416,6 +98587,12 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b + + + + + + @@ -77428,6 +98605,12 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b + + + + + + @@ -77442,6 +98625,7 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b https://www.gisaid.org/references/statements-clarifications/clade-and-lineage-nomenclature-aids-in-genomic-epidemiology-of-active-hcov-19-viruses/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7387429/ G251V in SARS-CoV2 NS3 protein + NS3-G251V @@ -77450,9 +98634,10 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b - A chemical entity that is an amino acid variant in a coronavirus proteome. To clarify, it is a set of amino acids that part of some coronavirus protein. + A chemical entity that is an amino acid variant in a coronavirus proteome. Such a variant is defined by comparing with the reference strain of the coronavirus. For example, D614G is a SARS-CoV-2 coronoviral amino acid variant that has the change from D to G at the position 614 compared with the reference Wuhan strain. Oliver He, Anthony Huffman - coronaviral AA variant + coronaviral amino acid variant + coronaviral amino acid variant @@ -77846,14 +99031,28 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b + + + + + + - S-H69del - H69del in SARS-CoV-2 S protein + + + + + + + H69del in SARS-CoV-2 S protein + S-H69del + https://cov-lineages.org/ + H69- in SARS-CoV-2 S protein @@ -77864,8 +99063,8 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b - - + + @@ -77874,8 +99073,14 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b + + + + + + S-V70del - V70del in SARS-CoV-2 S protein + V70- in SARS-CoV-2 S protein @@ -77886,18 +99091,20 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b - - + + - - + + S-Y144del - Y144del in SARS-CoV-2 S protein + https://cov-lineages.org/ + Y144del in SARS-CoV-2 S protein + Y144- in SARS-CoV-2 S protein @@ -77905,17 +99112,17 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b - + - + - - + + @@ -77936,6 +99143,12 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b + + + + + + @@ -77943,7 +99156,9 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b S-N501Y + https://cov-lineages.org/ N501Y in SARS-CoV-2 S protein + S-N501Y @@ -77951,11 +99166,17 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b - + - - + + + + + + + + @@ -77964,7 +99185,9 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b 204 + N-G204R An AA variant that has mutated an amino acid at position 204 into a arginine + https://cov-lineages.org/ G204R in SARS-CoV-2 N protein @@ -77973,7 +99196,7 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b - + @@ -77982,11 +99205,20 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b - - + + - S-A222V + + + + 222 + + + Anthony Huffman + S-A222V + https://cov-lineages.org/ + An AA variant that has mutated an amino acid at position 222 into valine in S protein. A222V in SARS-CoV-2 S protein @@ -79235,6 +100467,18 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b + + + + + + + + + + 5.02 + + Nextstrain clade 21A Anthony Huffman, Yongqun "Oliver" He https://nextstrain.org/ncov/gisaid/global @@ -79263,24 +100507,6 @@ results from evaporation of droplets coughed or sneezed into the atmosphere or b - - - - - - - - - - - - - - - - - - Nextstrain clade 20J Anthony Huffman, Yongqun "Oliver" He https://nextstrain.org/ncov/gisaid/global @@ -80241,39 +101467,1733 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + + + + + A CLIA certified laboratory that is categorized as a high complexity defined by the criteria listed in 42CFR 493.17 based on the Clinical Laboratory Improvement Amendments (CLIA) regulattion. + 42 CFR 439.17 +https://www.law.cornell.edu/cfr/text/42/493.17 +https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laboratory-improvement-amendments-clia + Asiyah Yu Lin + 2021-09-08T02:51:35Z + CLIA certified High complexity laboratory + + + + + + + + + A CLIA certified laboratory that is categorized as a moderate complexity defined by the criteria listed in 42CFR 493.17 based on the Clinical Laboratory Improvement Amendments (CLIA) regulattion. + 42 CFR 439.17 +https://www.law.cornell.edu/cfr/text/42/493.17 +https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laboratory-improvement-amendments-clia + Asiyah Yu Lin + 2021-09-08T02:52:00Z + CLIA certified Moderate complexity laboratory + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids APEGLVFLHTVLLPT + Anthony Huffman + PMID:32753554 + APEGLVFLHTVLLPT + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids APYGLLFMHFSYKPI + Anthony Huffman + PMID:32753554 + APYGLLFMHFSYKPI + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids APDGLLFLHTVLLPT + Anthony Huffman + PMID:32753554 + APDGLLFLHTVLLPT + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids APYGLYFIHFSYVPT + Anthony Huffman + PMID:32753554 + APYGLYFIHFSYVPT + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids GNSLNHLTSQLRQNF + Anthony Huffman + PMID:32753554 + GNSLNHLTSQLRQNF + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids AQALNSLLQQLFNKF + Anthony Huffman + PMID:32753554 + AQALNSLLQQLFNKF + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids GSALNHLTSQLRHNF + Anthony Huffman + PMID:32753554 + GSALNHLTSQLRHNF + true + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids AEALNNLLQQLSNRF + Anthony Huffman + PMID:32753554 + AEALNNLLQQLSNRF + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids AWYFLAMLTGLLPSL + Anthony Huffman + PMID:32753554 + AWYFLAMLTGLLPSL + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids LLCRVTLGDFTIMSG + Anthony Huffman + PMID:32753554 + LLCRVTLGDFTIMSG + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids FSPFNSLLCGDIVSG + Anthony Huffman + PMID:32753554 + FSPFNSLLCGDIVSG + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids ISSTVRLQAGTATEY + Anthony Huffman + PMID:32753554 + ISSTVRLQAGTATEY + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids ESAYMPIADPTHFDI + Anthony Huffman + PMID:32753554 + ESAYMPIADPTHFDI + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids VGGLYEIKIPTNFTI + Anthony Huffman + PMID:32753554 + VGGLYEIKIPTNFTI + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids ASGVFGVNLRTNFTI + Anthony Huffman + PMID:32753554 + ASGVFGVNLRTNFTI + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids VGGLYEIQIPSEFTI + Anthony Huffman + PMID:32753554 + VGGLYEIQIPSEFTI + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids CAQYYNGIMVLPGVA + Anthony Huffman + PMID:32753554 + CAQYYNGIMVLPGVA + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids CVQSFNGIKVLPPIL + Anthony Huffman + PMID:32753554 + CVQSFNGIKVLPPIL + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids CAQYYNGIMVLPGVA + Anthony Huffman + PMID:32753554 + CAQYYNGIMVLPGVA duplic + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids CVQSYKGIKVLPPLL + Anthony Huffman + PMID:32753554 + CVQSYKGIKVLPPLL + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids ELLQFVTDPTLIVAS + Anthony Huffman + PMID:32753554 + ELLQFVTDPTLIVAS + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids CKFAVCGDGFVPFLL + Anthony Huffman + PMID:32753554 + CKFAVCGDGFVPFLL + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids QPFSFSFRDELGVRV + Anthony Huffman + PMID:32753554 + QPFSFSFRDELGVRV + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids CQFKDKNLQDLWVLY + Anthony Huffman + PMID:32753554 + CQFKDKNLQDLWVLY + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids FSFGKVNNFVKFGSV + Anthony Huffman + PMID:32753554 + FSFGKVNNFVKFGSV + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids FKFDEPSDATDFIRV + Anthony Huffman + PMID:32753554 + FKFDEPSDATDFIRV + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids STVVEVKSAIVCASV + Anthony Huffman + PMID:32753554 + STVVEVKSAIVCASV + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids LVPQENYSSIRFASV + Anthony Huffman + PMID:32753554 + LVPQENYSSIRFASV + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids EEIEYVHGDALHTLR + Anthony Huffman + PMID:32753554 + EEIEYVHGDALHTLR + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids CGIKYVAQPTEDVVD + Anthony Huffman + PMID:32753554 + CGIKYVAQPTEDVVD + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids DTCFGVSKPNAIDVE + Anthony Huffman + PMID:32753554 + DTCFGVSKPNAIDVE + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids LIREIVMNASPYDLE + Anthony Huffman + PMID:32753554 + LIREIVMNASPYDLE + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids ALDKLYKVFGSPVMT + Anthony Huffman + PMID:32753554 + ALDKLYKVFGSPVMT + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids ELSHWFKNQTSIAPN + Anthony Huffman + PMID:32753554 + ELSHWFKNQTSIAPN + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids EFRDYFNNNTDSIVI + Anthony Huffman + PMID:32753554 + EFRDYFNNNTDSIVI + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids ELDQWFKNQTSVAPD + Anthony Huffman + PMID:32753554 + ELDQWFKNQTSVAPD + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids FAVESGGYIPSDFAF + Anthony Huffman + PMID:32753554 + FAVESGGYIPSDFAF + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids FEVEKGVTVDDFVAV + Anthony Huffman + PMID:32753554 + FEVEKGVTVDDFVAV + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids FDVVFGHGAGSVVFV + Anthony Huffman + PMID:32753554 + FDVVFGHGAGSVVFV + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids KRGEKGAYNKDHGRG + Anthony Huffman + PMID:32753554 + KRGEKGAYNKDHGRG + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids QAISSSIQAIYDRLD + Anthony Huffman + PMID:32753554 + QAISSSIQAIYDRLD + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids GAISSSLQEILSRLD + Anthony Huffman + PMID:32753554 + GAISSSLQEILSRLD + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids SAMHSLLFGMLRRLD + Anthony Huffman + PMID:32753554 + SAMHSLLFGMLRRLD + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids GAISASLQEILSRLD + Anthony Huffman + PMID:32753554 + GAISASLQEILSRLD + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids GNQTLFCNIMKFSDR + Anthony Huffman + PMID:32753554 + GNQTLFCNIMKFSDR + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids LIPRSYYLIQSGIFF + Anthony Huffman + PMID:32753554 + LIPRSYYLIQSGIFF + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids GLNASVTLKICKFSR + Anthony Huffman + PMID:32753554 + GLNASVTLKICKFSR + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids GIFAKVKNTKVIKDR + Anthony Huffman + PMID:32753554 + GIFAKVKNTKVIKDR + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids TGVNDAITQTSQALQ + Anthony Huffman + PMID:32753554 + TGVNDAITQTSQALQ + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids IFKNNTSFPTNIAVE + Anthony Huffman + PMID:32753554 + IFKNNTSFPTNIAVE + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids VMNNIVLFLTWLLSM + Anthony Huffman + PMID:32753554 + VMNNIVLFLTWLLSM + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids IFINNTTYPTNVAVE + Anthony Huffman + PMID:32753554 + IFINNTTYPTNVAVE + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids CVEMHNKINLCDDPE + Anthony Huffman + PMID:32753554 + CVEMHNKINLCDDPE + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids AWRFPCAGRKVNFNE + Anthony Huffman + PMID:32753554 + AWRFPCAGRKVNFNE + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids CVDLHNKINLCDDPE + Anthony Huffman + PMID:32753554 + CVDLHNKINLCDDPE + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids SVVEVVTTSLTPCGY + Anthony Huffman + PMID:32753554 + SVVEVVTTSLTPCGY + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids RVAGRSAIEDILFSK + Anthony Huffman + PMID:32753554 + RVAGRSAIEDILFSK + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids GSSSRSFFEDLLFDK + Anthony Huffman + PMID:32753554 + GSSSRSFFEDLLFDK + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids RIAGRSALEDLLFSK + Anthony Huffman + PMID:32753554 + RIAGRSALEDLLFSK + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids KASSRSAIEDLLFDK + Anthony Huffman + PMID:32753554 + KASSRSAIEDLLFDK + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids WNGVIKNVNSVRDWL + Anthony Huffman + PMID:32753554 + WNGVIKNVNSVRDWL + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids IQESIKSLNNSYINL + Anthony Huffman + PMID:32753554 + IQESIKSLNNSYINL + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids LFVVALFIGVSFIDY + Anthony Huffman + PMID:32753554 + LFVVALFIGVSFIDY + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids LQEAIKVLNQSYINL + Anthony Huffman + PMID:32753554 + LQEAIKVLNQSYINL + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids NGSNILEAFTKPVFI + Anthony Huffman + PMID:32753554 + NGSNILEAFTKPVFI + true + + + + + + + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids NFVALIPDYAKILVN + Anthony Huffman + PMID:32753554 + NFVALIPDYAKILVN + true + + + + + - - - A CLIA certified laboratory that is categorized as a high complexity defined by the criteria listed in 42CFR 493.17 based on the Clinical Laboratory Improvement Amendments (CLIA) regulattion. - 42 CFR 439.17 -https://www.law.cornell.edu/cfr/text/42/493.17 -https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laboratory-improvement-amendments-clia - Asiyah Yu Lin - 2021-09-08T02:51:35Z - CLIA certified High complexity laboratory + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids YFSQLLCEPIKLVNS + Anthony Huffman + PMID:32753554 + YFSQLLCEPIKLVNS + true - + - - - A CLIA certified laboratory that is categorized as a moderate complexity defined by the criteria listed in 42CFR 493.17 based on the Clinical Laboratory Improvement Amendments (CLIA) regulattion. - 42 CFR 439.17 -https://www.law.cornell.edu/cfr/text/42/493.17 -https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laboratory-improvement-amendments-clia - Asiyah Yu Lin - 2021-09-08T02:52:00Z - CLIA certified Moderate complexity laboratory + + + + + + + + + + + + + + + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids NIEAWLNDKSVPSPL + Anthony Huffman + PMID:32753554 + NIEAWLNDKSVPSPL + true - + - + @@ -80284,22 +103204,22 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids APEGLVFLHTVLLPT + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids LLLWESGKAKPPLNR Anthony Huffman PMID:32753554 - APEGLVFLHTVLLPT + LLLWESGKAKPPLNR true - + - - + + @@ -80309,21 +103229,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids APYGLLFMHFSYKPI + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids DLLSEYGTFCDNINS Anthony Huffman PMID:32753554 - APYGLLFMHFSYKPI + DLLSEYGTFCDNINS true - + - + @@ -80334,21 +103254,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids APDGLLFLHTVLLPT + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids NLLKQYTSACKTIED Anthony Huffman PMID:32753554 - APDGLLFLHTVLLPT + NLLKQYTSACKTIED true - + - + @@ -80359,21 +103279,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids APYGLYFIHFSYVPT + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids SQLVEYGSFCDNINA Anthony Huffman PMID:32753554 - APYGLYFIHFSYVPT + SQLVEYGSFCDNINA true - + - + @@ -80384,22 +103304,22 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids GNSLNHLTSQLRQNF + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids NPVSFVVKPVCSSIF Anthony Huffman PMID:32753554 - GNSLNHLTSQLRQNF + NPVSFVVKPVCSSIF true - + - - + + @@ -80409,21 +103329,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids AQALNSLLQQLFNKF + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids ESQGNVVTSVMESQI Anthony Huffman PMID:32753554 - AQALNSLLQQLFNKF + ESQGNVVTSVMESQI true - + - + @@ -80434,40 +103354,46 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids GSALNHLTSQLRHNF + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids NIAFNVVKKGCFTGV Anthony Huffman PMID:32753554 - GSALNHLTSQLRHNF + NIAFNVVKKGCFTGV true - + - + + + + + + + - + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids AEALNNLLQQLSNRF + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids NPPTNVVSHVNGDWF Anthony Huffman PMID:32753554 - AEALNNLLQQLSNRF + NPPTNVVSHVNGDWF true - + - + @@ -80478,21 +103404,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids AWYFLAMLTGLLPSL + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids QPVEGVSSFMNVTLD Anthony Huffman PMID:32753554 - AWYFLAMLTGLLPSL + QPVEGVSSFMNVTLD true - + - + @@ -80503,21 +103429,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids LLCRVTLGDFTIMSG + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids QPTEDVVDGDVVIRE Anthony Huffman PMID:32753554 - LLCRVTLGDFTIMSG + QPTEDVVDGDVVIRE true - + - + @@ -80528,21 +103454,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids FSPFNSLLCGDIVSG + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids NNTDSIVIGGVTYQL Anthony Huffman PMID:32753554 - FSPFNSLLCGDIVSG + NNTDSIVIGGVTYQL true - + - + @@ -80553,21 +103479,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids ISSTVRLQAGTATEY + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids ICSASDMTNPDYTNL Anthony Huffman PMID:32753554 - ISSTVRLQAGTATEY + ICSASDMTNPDYTNL true - + - + @@ -80578,22 +103504,22 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids ESAYMPIADPTHFDI + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids SAIEDILFSKLVTSG Anthony Huffman PMID:32753554 - ESAYMPIADPTHFDI + SAIEDILFSKLVTSG true - + - - + + @@ -80603,21 +103529,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids VGGLYEIKIPTNFTI + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids SFFEDLLFDKVKLSD Anthony Huffman PMID:32753554 - VGGLYEIKIPTNFTI + SFFEDLLFDKVKLSD true - + - + @@ -80628,21 +103554,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids ASGVFGVNLRTNFTI + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids SALEDLLFSKVVTSG Anthony Huffman PMID:32753554 - ASGVFGVNLRTNFTI + SALEDLLFSKVVTSG true - + - + @@ -80653,21 +103579,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids VGGLYEIQIPSEFTI + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids SAIEDLLFDKVKLSD Anthony Huffman PMID:32753554 - VGGLYEIQIPSEFTI + SAIEDLLFDKVKLSD true - + - + @@ -80678,22 +103604,22 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids CAQYYNGIMVLPGVA + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids SNSNYLLEEFDVVFG Anthony Huffman PMID:32753554 - CAQYYNGIMVLPGVA + SNSNYLLEEFDVVFG true - + - - + + @@ -80703,21 +103629,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids CVQSFNGIKVLPPIL + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids YSFGRCPTSSIIKHP Anthony Huffman PMID:32753554 - CVQSFNGIKVLPPIL + YSFGRCPTSSIIKHP true - + - + @@ -80728,21 +103654,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids CAQYYNGIMVLPGVA + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids SLWRVTAVHSDGMFV Anthony Huffman PMID:32753554 - CAQYYNGIMVLPGVA duplic + SLWRVTAVHSDGMFV true - + - + @@ -80753,21 +103679,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids CVQSYKGIKVLPPLL + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids LLFDVIVAWHVVRDP Anthony Huffman PMID:32753554 - CVQSYKGIKVLPPLL + LLFDVIVAWHVVRDP true - + - + @@ -80778,22 +103704,22 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids ELLQFVTDPTLIVAS + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids RLHNFSIISGTAFLG Anthony Huffman PMID:32753554 - ELLQFVTDPTLIVAS + RLHNFSIISGTAFLG true - + - - + + @@ -80803,21 +103729,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids CKFAVCGDGFVPFLL + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids SVATFYIEHYVNRLV Anthony Huffman PMID:32753554 - CKFAVCGDGFVPFLL + SVATFYIEHYVNRLV true - + - + @@ -80828,21 +103754,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids QPFSFSFRDELGVRV + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids SSATDAIIAVELLLL Anthony Huffman PMID:32753554 - QPFSFSFRDELGVRV + SSATDAIIAVELLLL true - + - + @@ -80853,21 +103779,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids CQFKDKNLQDLWVLY + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids SVKSYDSLVYTGVLG Anthony Huffman PMID:32753554 - CQFKDKNLQDLWVLY + SVKSYDSLVYTGVLG true - + - + @@ -80878,21 +103804,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids FSFGKVNNFVKFGSV + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids VMLQIQLTGILDGDY Anthony Huffman PMID:32753554 - FSFGKVNNFVKFGSV + VMLQIQLTGILDGDY true - + - + @@ -80903,21 +103829,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids FKFDEPSDATDFIRV + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids KLITTACNGISVTQT Anthony Huffman PMID:32753554 - FKFDEPSDATDFIRV + KLITTACNGISVTQT true - + - + @@ -80928,21 +103854,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids STVVEVKSAIVCASV + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids NQLRLAFLGASVTED Anthony Huffman PMID:32753554 - STVVEVKSAIVCASV + NQLRLAFLGASVTED true - + - + @@ -80953,21 +103879,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids LVPQENYSSIRFASV + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids TILNTACGVFEVDDT Anthony Huffman PMID:32753554 - LVPQENYSSIRFASV + TILNTACGVFEVDDT true - + - + @@ -80978,22 +103904,22 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids EEIEYVHGDALHTLR + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids TPFMILLVALSLCLT Anthony Huffman PMID:32753554 - EEIEYVHGDALHTLR + TPFMILLVALSLCLT true - + - - + + @@ -81003,21 +103929,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids CGIKYVAQPTEDVVD + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids FPKGYVMGLFRSYKT Anthony Huffman PMID:32753554 - CGIKYVAQPTEDVVD + FPKGYVMGLFRSYKT true - + - + @@ -81028,21 +103954,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids DTCFGVSKPNAIDVE + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids TLFKFLLLLYAIYAL Anthony Huffman PMID:32753554 - DTCFGVSKPNAIDVE + TLFKFLLLLYAIYAL true - + - + @@ -81053,21 +103979,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids LIREIVMNASPYDLE + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids TIFNCVYALNNVYLG Anthony Huffman PMID:32753554 - LIREIVMNASPYDLE + TIFNCVYALNNVYLG true - + - + @@ -81078,22 +104004,22 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids ALDKLYKVFGSPVMT + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids VVGGTIQILASVPEK Anthony Huffman PMID:32753554 - ALDKLYKVFGSPVMT + VVGGTIQILASVPEK true - + - - + + @@ -81103,21 +104029,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids ELSHWFKNQTSIAPN + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids CNAQEQQIYFFEGVA Anthony Huffman PMID:32753554 - ELSHWFKNQTSIAPN + CNAQEQQIYFFEGVA true - + - + @@ -81128,21 +104054,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids EFRDYFNNNTDSIVI + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids VTEDVKFAASTGVID Anthony Huffman PMID:32753554 - EFRDYFNNNTDSIVI + VTEDVKFAASTGVID true - + - + @@ -81153,21 +104079,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids ELDQWFKNQTSVAPD + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids VSATVLQNNELMPAK Anthony Huffman PMID:32753554 - ELDQWFKNQTSVAPD + VSATVLQNNELMPAK true - + - + @@ -81178,21 +104104,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids FAVESGGYIPSDFAF + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids VWHAKDFNSLSAEGR Anthony Huffman PMID:32753554 - FAVESGGYIPSDFAF + VWHAKDFNSLSAEGR true - + - + @@ -81203,21 +104129,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids FEVEKGVTVDDFVAV + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids WFNTMLDASAPATGW Anthony Huffman PMID:32753554 - FEVEKGVTVDDFVAV + WFNTMLDASAPATGW true - + - + @@ -81228,21 +104154,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids FDVVFGHGAGSVVFV + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids WFCANQSTSVYSANG Anthony Huffman PMID:32753554 - FDVVFGHGAGSVVFV + WFCANQSTSVYSANG true - + - + @@ -81253,21 +104179,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids KRGEKGAYNKDHGRG + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids VKNIPRYASAVAQAF Anthony Huffman PMID:32753554 - KRGEKGAYNKDHGRG + VKNIPRYASAVAQAF true - + - + @@ -81278,22 +104204,22 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids QAISSSIQAIYDRLD + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids QQVDRLITGRLAALN Anthony Huffman PMID:32753554 - QAISSSIQAIYDRLD + QQVDRLITGRLAALN true - + - - + + @@ -81303,21 +104229,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids GAISSSLQEILSRLD + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids VQIDRLINGRLTALN Anthony Huffman PMID:32753554 - GAISSSLQEILSRLD + VQIDRLINGRLTALN true - + - + @@ -81328,21 +104254,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids SAMHSLLFGMLRRLD + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids QQVDRLITGRLAALN Anthony Huffman PMID:32753554 - SAMHSLLFGMLRRLD + QQVDRLITGRLAALN true - + - + @@ -81353,21 +104279,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids GAISASLQEILSRLD + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids AQIDRLINGRLTALN Anthony Huffman PMID:32753554 - GAISASLQEILSRLD + AQIDRLINGRLTALN true - + - + @@ -81378,21 +104304,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids GNQTLFCNIMKFSDR + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids TTQQAGAGIKYFCGM Anthony Huffman PMID:32753554 - GNQTLFCNIMKFSDR + TTQQAGAGIKYFCGM true - + - + @@ -81403,21 +104329,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids LIPRSYYLIQSGIFF + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids MLHGGGVAKAIAVAA Anthony Huffman PMID:32753554 - LIPRSYYLIQSGIFF + MLHGGGVAKAIAVAA true - + - + @@ -81428,21 +104354,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids GLNASVTLKICKFSR + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids GTFESAAAGTFVLDM Anthony Huffman PMID:32753554 - GLNASVTLKICKFSR + GTFESAAAGTFVLDM true - + - + @@ -81453,21 +104379,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids GIFAKVKNTKVIKDR + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids ETFTVCADGFMPFLL Anthony Huffman PMID:32753554 - GIFAKVKNTKVIKDR + ETFTVCADGFMPFLL true - + - + @@ -81478,21 +104404,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids TGVNDAITQTSQALQ + A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids VETYIKWPWWVWLCI Anthony Huffman PMID:32753554 - TGVNDAITQTSQALQ + VETYIKWPWWVWLCI true - + - + @@ -81503,21 +104429,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids IFKNNTSFPTNIAVE + A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids YEMYVKWPWYVWLLI Anthony Huffman PMID:32753554 - IFKNNTSFPTNIAVE + YEMYVKWPWYVWLLI true - + - + @@ -81528,21 +104454,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids VMNNIVLFLTWLLSM + A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids FENYIKWPWWVWLII Anthony Huffman PMID:32753554 - VMNNIVLFLTWLLSM + FENYIKWPWWVWLII true - + - + @@ -81553,2177 +104479,2069 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids IFINNTTYPTNVAVE + A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids YEYYVKWPWYVWLLI Anthony Huffman PMID:32753554 - IFINNTTYPTNVAVE + YEYYVKWPWYVWLLI true - + - - + + - - + + 9.05 + + + Anthony Huffman, Yongqun "Oliver" He + https://nextstrain.org/ncov/gisaid/global9 + 1/30/2022 + Nextstrain clade 21K; Nextstrain clde 21L; Nextstrain clade 21M + SARS-CoV-2 Omicron variant + + + + + + + + + + + + + + + + + + + An AA variant that is located in theSARS-CoV-2 S protein. + Anthony Huffman + AA variant in SARS-CoV-2 S protein + + + + + + + + + + + + + + - - + + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids CVEMHNKINLCDDPE + An AA variant that is located in the S1 domain of SARS-CoV-2 S protein. In the original Wuhan strain, this contains amino acids from positions 1-685. Anthony Huffman - PMID:32753554 - CVEMHNKINLCDDPE - true + AA variant in SARS-CoV-2 S protein S1 region - + - - + + + An AA variant that is located in the RBD of SARS-CoV-2 S protein. In the original Wuhan strain, this contains amino acids from position 306-527. + Anthony Huffman + AA variant in SARS-CoV-2 S protein S1 RBD region + + + + + + + + + An AA variant that is located in the RBD of SARS-CoV-2 S protein. In the original Wuhan strain, this contains amino acids from position 14-290. + Anthony Huffman + AA variant in SARS-CoV-2 S protein S1 NTD region + + + + + + + + + + + + + + + + + + + + + An AA variant that is located in the S2 region of SARS-CoV-2 S protein. In the original Wuhan strain, this contains amino acids from position 696 to end of the protein. + Anthony Huffman + AA variant in SARS-CoV-2 S protein S2 region + + + + + + + + + + + + + + + AA variant in SARS-CoV-2 N protein + + + + + + + + + AA variant in SARS-CoV-2 N protein LKR region + + + + + + + + + + + + + + + + + + + + + Anthony Huffman + AA variant in SARS-CoV-2 E protein + + + + + + + + + + + + + + + + + + + + + Anthony Huffman + AA variant in SARS-CoV-2 NS7 protein + + + + + + + + + + + + + + + + + + + + + Anthony Huffman + AA variant in SARS-CoV-2 ORF1ab polyprotein product + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 440 + + + An AA mutation or AA variant that has mutated an amino acid at position 211 into a lysine in S protein. + Anthony Huffman + https://cov-lineages.org/ + N440K in SARS-CoV-2 S protein + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 339 + + + An AA mutation or AA variant that has mutated an amino acid at position 142 into a aspartic acid in S protein. + Anthony Huffman + https://cov-lineages.org/ + G142D in SARS-CoV-2 S protein + + + + + + + + + SARS-CoV-2 protein amino acid deletion + + + + + + + + + + + + + + + + + + + + + + + + 156 + + + An AA mutation or AA variant that has mutated an amino acid at position 143 in S protein into a deletion. + Anthony Huffman + https://cov-lineages.org/ + V143- in SARS-CoV-2 S protein + + + + + + + + + + + + + + + + + + + + + AA variant in SARS-CoV-2 NS3a protein, AA variant in ORF3a protein (SARS-CoV-2)' + AA variant in SARS-CoV-2 NS3 protein + + + + + + + + + + + + + + + + + + + + + Anthony Huffman + AA variant in SARS-CoV-2 NS8 protein + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 156 + + + An AA mutation or AA variant that has mutated an amino acid at position 144 in S protein into a deletion. + Anthony Huffman + https://cov-lineages.org/ + V144- in SARS-CoV-2 S protein + + + + + + + + + + + + + + + + + + + + + Anthony Huffman + AA variant in SARS-CoV-2 M protein + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 71 + + + An AA mutation or AA variant that has mutated an amino acid at position 71 into a leucine + Anthony Huffman + https://cov-lineages.org/ + P71L in SARS-CoV-2 E protein + + + + + + + + + + + + + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids AWRFPCAGRKVNFNE + + + + 9 + + + An AA mutation or AA variant that has mutated an amino acid at position 9 into a isoleucine Anthony Huffman - PMID:32753554 - AWRFPCAGRKVNFNE - true + https://cov-lineages.org/ + T9I in SARS-CoV-2 E protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids CVDLHNKINLCDDPE - Anthony Huffman - PMID:32753554 - CVDLHNKINLCDDPE - true - - - - - - - - - - + + - - + + 63 - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids SVVEVVTTSLTPCGY + An AA mutation or AA variant that has mutated an amino acid at position 63 into a threonine in M protein. Anthony Huffman - PMID:32753554 - SVVEVVTTSLTPCGY - true + https://cov-lineages.org/ + A63T in SARS-CoV-2 M protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids RVAGRSAIEDILFSK - Anthony Huffman - PMID:32753554 - RVAGRSAIEDILFSK - true - - - - - - - - - - + + - - + + 3 - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids GSSSRSFFEDLLFDK + An AA mutation or AA variant that has mutated an amino acid at position 3 into a aspartic acid in M protein. Anthony Huffman - PMID:32753554 - GSSSRSFFEDLLFDK - true + https://cov-lineages.org/ + D3G in SARS-CoV-2 M protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids RIAGRSALEDLLFSK + + + + 182 + + + An AA mutation or AA variant that has mutated an amino acid at position 182 into a threonine in M protein. Anthony Huffman - PMID:32753554 - RIAGRSALEDLLFSK - true + https://cov-lineages.org/ + I82T in SARS-CoV-2 M protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids KASSRSAIEDLLFDK + + + + 19 + + + An AA mutation or AA variant that has mutated an amino acid at position 19 into a glutamine in M protein. Anthony Huffman - PMID:32753554 - KASSRSAIEDLLFDK - true + https://cov-lineages.org/ + Q19E in SARS-CoV-2 M protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids WNGVIKNVNSVRDWL - Anthony Huffman - PMID:32753554 - WNGVIKNVNSVRDWL - true - - - - - - - - - - + + - - + + 377 - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids IQESIKSLNNSYINL + An AA mutation or AA variant that has mutated an amino acid at position 377 into a tyrosine in N protein. Anthony Huffman - PMID:32753554 - IQESIKSLNNSYINL - true + https://cov-lineages.org/ + https://covariants.org/variants + D377Y in SARS-CoV-2 N protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids LFVVALFIGVSFIDY - Anthony Huffman - PMID:32753554 - LFVVALFIGVSFIDY - true - - - - - - - - - - + + - - + + 3 - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids LQEAIKVLNQSYINL + An AA mutation or AA variant that has mutated an amino acid at position 3 into a leucine in N protein. Anthony Huffman - PMID:32753554 - LQEAIKVLNQSYINL - true + https://cov-lineages.org/ + D3L in SARS-CoV-2 N protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids NGSNILEAFTKPVFI - Anthony Huffman - PMID:32753554 - NGSNILEAFTKPVFI - true - - - - - - - - - - + + - - + + 63 - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids NFVALIPDYAKILVN + An AA mutation or AA variant that has mutated an amino acid at position 63 into a glycine in N protein. Anthony Huffman - PMID:32753554 - NFVALIPDYAKILVN - true + https://cov-lineages.org/ + D63G in SARS-CoV-2 N protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids YFSQLLCEPIKLVNS - Anthony Huffman - PMID:32753554 - YFSQLLCEPIKLVNS - true - - - - - - - - - - + + - - + + 800 - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids NIEAWLNDKSVPSPL + An AA variant that has mutated an amino acid at position 800 into a arginine in N protein. Anthony Huffman - PMID:32753554 - NIEAWLNDKSVPSPL - true + https://cov-lineages.org/ + P80R in SARS-CoV-2 N protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids LLLWESGKAKPPLNR - Anthony Huffman - PMID:32753554 - LLLWESGKAKPPLNR - true - - - - - - - - - - + + - - + + 203 - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids DLLSEYGTFCDNINS + An AA mutation or AA variant that has mutated an amino acid at position 203 into a methionine in N protein. Anthony Huffman - PMID:32753554 - DLLSEYGTFCDNINS - true + https://cov-lineages.org/ + R203M in SARS-CoV-2 N protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids NLLKQYTSACKTIED - Anthony Huffman - PMID:32753554 - NLLKQYTSACKTIED - true - - - - - - - - - - + + - - + + 235 - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids SQLVEYGSFCDNINA + An AA mutation or AA variant that has mutated an amino acid at position 235 into a phenylalanine in N protein. Anthony Huffman - PMID:32753554 - SQLVEYGSFCDNINA - true + https://cov-lineages.org/ + S235F in SARS-CoV-2 N protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids NPVSFVVKPVCSSIF - Anthony Huffman - PMID:32753554 - NPVSFVVKPVCSSIF - true - - - - - - - - - - + + - - + + 205 - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids ESQGNVVTSVMESQI + An AA mutation or AA variant that has mutated an amino acid at position 205 into a isoleucine in N protein. Anthony Huffman - PMID:32753554 - ESQGNVVTSVMESQI - true + https://cov-lineages.org/ + T205I in SARS-CoV-2 N protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids NIAFNVVKKGCFTGV - Anthony Huffman - PMID:32753554 - NIAFNVVKKGCFTGV - true - - - - - - - - - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids NPPTNVVSHVNGDWF + + + + 1708 + + + An AA mutation or AA variant that has mutated an amino acid at position 1708 into a aspartic acid in pp1a. Anthony Huffman - PMID:32753554 - NPPTNVVSHVNGDWF - true + https://cov-lineages.org/ + A1708D in SARS-CoV-2 pp1a protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids QPVEGVSSFMNVTLD - Anthony Huffman - PMID:32753554 - QPVEGVSSFMNVTLD - true - - - - - - - - - - + + - - + + 3677 - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids QPTEDVVDGDVVIRE + An AA mutation or AA variant that has mutated an amino acid at position 3677 into a deletion Anthony Huffman - PMID:32753554 - QPTEDVVDGDVVIRE - true + https://cov-lineages.org/ + F3677- in SARS-CoV-2 pp1a protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids NNTDSIVIGGVTYQL - Anthony Huffman - PMID:32753554 - NNTDSIVIGGVTYQL - true - - - - - - - - - - + + - - + + 3676 - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids ICSASDMTNPDYTNL + An AA mutation or AA variant that has mutated an amino acid at position 3676 into a deletion Anthony Huffman - PMID:32753554 - ICSASDMTNPDYTNL - true + https://cov-lineages.org/ + G3676- in SARS-CoV-2 pp1a protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids SAIEDILFSKLVTSG - Anthony Huffman - PMID:32753554 - SAIEDILFSKLVTSG - true - - - - - - - - - - + + - - + + 2230 - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids SFFEDLLFDKVKLSD + An AA variant that has mutated an amino acid at position 2230 into a threonine Anthony Huffman - PMID:32753554 - SFFEDLLFDKVKLSD - true + https://cov-lineages.org/ + I2230T in SARS-CoV-2 pp1a protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids SALEDLLFSKVVTSG - Anthony Huffman - PMID:32753554 - SALEDLLFSKVVTSG - true - - - - - - - - - - + + - - + + 3758 - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids SAIEDLLFDKVKLSD + An AA mutation or AA variant that has mutated an amino acid at position 3758 into a valine in pp1a. Anthony Huffman - PMID:32753554 - SAIEDLLFDKVKLSD - true + https://cov-lineages.org/ + I3758V in SARS-CoV-2 pp1a protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids SNSNYLLEEFDVVFG - Anthony Huffman - PMID:32753554 - SNSNYLLEEFDVVFG - true - - - - - - - - - - + + - - + + 1655 - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids YSFGRCPTSSIIKHP + An AA mutation or AA variant that has mutated an amino acid at position 1655 into a asparagine in pp1a. Anthony Huffman - PMID:32753554 - YSFGRCPTSSIIKHP - true + https://cov-lineages.org/ + K1655N in SARS-CoV-2 pp1a protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids SLWRVTAVHSDGMFV - Anthony Huffman - PMID:32753554 - SLWRVTAVHSDGMFV - true - - - - - - - - - - + + - - + + 1795 - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids LLFDVIVAWHVVRDP + An AA mutation or AA variant that has mutated an amino acid at position 1795 into a glutamine in pp1a. Anthony Huffman - PMID:32753554 - LLFDVIVAWHVVRDP - true + https://cov-lineages.org/ + K1795Q in SARS-CoV-2 pp1a protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids RLHNFSIISGTAFLG - Anthony Huffman - PMID:32753554 - RLHNFSIISGTAFLG - true - - - - - - - - - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids SVATFYIEHYVNRLV + + + + 856 + + + An AA mutation or AA variant that has mutated an amino acid at position 856 into a arginine in pp1a. Anthony Huffman - PMID:32753554 - SVATFYIEHYVNRLV - true + https://cov-lineages.org/ + K856R in SARS-CoV-2 pp1a protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids SSATDAIIAVELLLL - Anthony Huffman - PMID:32753554 - SSATDAIIAVELLLL - true - - - - - - - - - - + + - - + + 3395 - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids SVKSYDSLVYTGVLG + An AA mutation or AA variant that has mutated an amino acid at position 3395 into a histidine in pp1a. Anthony Huffman - PMID:32753554 - SVKSYDSLVYTGVLG - true + https://cov-lineages.org/ + P3395H in SARS-CoV-2 pp1a protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids VMLQIQLTGILDGDY + + + + 1188 + + + An AA mutation or AA variant that has mutated an amino acid at position 1188 into a leucine in pp1a. Anthony Huffman - PMID:32753554 - VMLQIQLTGILDGDY - true + https://cov-lineages.org/ + S1188L in SARS-CoV-2 pp1a protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids KLITTACNGISVTQT - Anthony Huffman - PMID:32753554 - KLITTACNGISVTQT - true - - - - - - - - - - + + - - + + 3675 - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids NQLRLAFLGASVTED + An AA mutation or AA variant that has mutated an amino acid at position 3675 into a deletion Anthony Huffman - PMID:32753554 - NQLRLAFLGASVTED - true + https://cov-lineages.org/ + S3675- in SARS-CoV-2 pp1a protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids TILNTACGVFEVDDT - Anthony Huffman - PMID:32753554 - TILNTACGVFEVDDT - true - - - - - - - - - - + + - - + + 1001 - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids TPFMILLVALSLCLT + An AA mutation or AA variant that has mutated an amino acid at position 1001 into a isoleucine in pp1a. Anthony Huffman - PMID:32753554 - TPFMILLVALSLCLT - true + https://cov-lineages.org/ + T1001I in SARS-CoV-2 pp1a protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids FPKGYVMGLFRSYKT - Anthony Huffman - PMID:32753554 - FPKGYVMGLFRSYKT - true - - - - - - - - - - + + - - + + 3255 - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids TLFKFLLLLYAIYAL + An AA mutation or AA variant that has mutated an amino acid at position 3255 into a isoleucine in pp1a. Anthony Huffman - PMID:32753554 - TLFKFLLLLYAIYAL - true + https://cov-lineages.org/ + T3255I in SARS-CoV-2 pp1a protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids TIFNCVYALNNVYLG - Anthony Huffman - PMID:32753554 - TIFNCVYALNNVYLG - true - - - - - - - - - - + + - - + + 662 - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids VVGGTIQILASVPEK + An AA mutation or AA variant that has mutated an amino acid at position 662 into a serine in pp1b. Anthony Huffman - PMID:32753554 - VVGGTIQILASVPEK - true + https://cov-lineages.org/ + G662S in SARS-CoV-2 pp1b protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids CNAQEQQIYFFEGVA - Anthony Huffman - PMID:32753554 - CNAQEQQIYFFEGVA - true - - - - - - - - - - + + - - + + 1566 - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids VTEDVKFAASTGVID + An AA mutation or AA variant that has mutated an amino acid at position 1566 into a valine in pp1b. Anthony Huffman - PMID:32753554 - VTEDVKFAASTGVID - true + https://cov-lineages.org/ + I1566V in SARS-CoV-2 pp1b protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids VSATVLQNNELMPAK - Anthony Huffman - PMID:32753554 - VSATVLQNNELMPAK - true - - - - - - - - - - + + - - + + 1000 - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids VWHAKDFNSLSAEGR + An AA mutation or AA variant that has mutated an amino acid at position 1000 into a leucine Anthony Huffman - PMID:32753554 - VWHAKDFNSLSAEGR - true + https://cov-lineages.org/ + in pp1b. + P1000L in SARS-CoV-2 pp1b protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids WFNTMLDASAPATGW - Anthony Huffman - PMID:32753554 - WFNTMLDASAPATGW - true - - - - - - - - - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids WFCANQSTSVYSANG - Anthony Huffman - PMID:32753554 - WFCANQSTSVYSANG - true - - - - - - - - - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids VKNIPRYASAVAQAF - Anthony Huffman - PMID:32753554 - VKNIPRYASAVAQAF - true - - - - - - - - - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids QQVDRLITGRLAALN - Anthony Huffman - PMID:32753554 - QQVDRLITGRLAALN - true - - - - - - - - - - + + - - + + 314 - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids VQIDRLINGRLTALN + An AA mutation or AA variant that has mutated an amino acid at position 314 into a leucine in pp1b. Anthony Huffman - PMID:32753554 - VQIDRLINGRLTALN - true + https://cov-lineages.org/ + P314L in SARS-CoV-2 pp1b protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids QQVDRLITGRLAALN - Anthony Huffman - PMID:32753554 - QQVDRLITGRLAALN - true - - - - - - - - - - + + - - + + 26 - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids AQIDRLINGRLTALN + An AA mutation or AA variant that has mutated an amino acid at position 26 into a leucine Anthony Huffman - PMID:32753554 - AQIDRLINGRLTALN - true + S26L in SARS-CoV-2 NS3 protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids TTQQAGAGIKYFCGM + + + + 156 + + + An AA mutation or AA variant that has mutated an amino acid at position 145 in S protein into a deletion. Anthony Huffman - PMID:32753554 - TTQQAGAGIKYFCGM - true + https://cov-lineages.org/ + V145- in SARS-CoV-2 S protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids MLHGGGVAKAIAVAA - Anthony Huffman - PMID:32753554 - MLHGGGVAKAIAVAA - true - - - - - - - - - - + + - - + + 505 - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids GTFESAAAGTFVLDM - Anthony Huffman - PMID:32753554 - GTFESAAAGTFVLDM - true + An AA mutation or AA variant that has mutated an amino acid at position 505 into a histidine in S protein. + S-Y505H + https://cov-lineages.org/ + Y505H in SARS-CoV-2 S protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids ETFTVCADGFMPFLL - Anthony Huffman - PMID:32753554 - ETFTVCADGFMPFLL - true - - - - - - - - - - + + - - + + 92 - A coronavirus epitope that is part of some S protein from HCoV 229E composed of the following amino acids VETYIKWPWWVWLCI + An AA mutation or AA variant that has mutated an amino acid at position 92 into a lysine in ns8. Anthony Huffman - PMID:32753554 - VETYIKWPWWVWLCI - true + E92K in SARS-CoV-2 NS8 protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV HKU1 composed of the following amino acids YEMYVKWPWYVWLLI + + + + 27 + + + An AA mutation or AA variant that has mutated an amino acid at position 27 into a stop mutaiton. Anthony Huffman - PMID:32753554 - YEMYVKWPWYVWLLI - true + https://cov-lineages.org/ + Q27* in SARS-CoV-2 NS8 protein - + - - + + - - + + - - + + - A coronavirus epitope that is part of some S protein from HCoV NL63 composed of the following amino acids FENYIKWPWWVWLII - Anthony Huffman - PMID:32753554 - FENYIKWPWWVWLII - true - - - - - - - - - - + + - - + + 52 - A coronavirus epitope that is part of some S protein from HCoV OC43 composed of the following amino acids YEYYVKWPWYVWLLI + An AA mutation or AA variant that has mutated an amino acid at position 52 into a isoleucine in ns8. Anthony Huffman - PMID:32753554 - YEYYVKWPWYVWLLI - true - - - - - - - - - Anthony Huffman, Yongqun "Oliver" He - https://nextstrain.org/ncov/gisaid/global9 - 1/30/2022 - Nextstrain clade 21K; Nextstrain clde 21L; Nextstrain clade 21M - SARS-CoV-2 Omicron variant + R52I in SARS-CoV-2 NS8 protein - + - - - - - - - - - - - - - + + - + - Anthony Huffman - AA variant in SARS-CoV-2 S protein - - - - - - - - - Anthony Huffman - AA variant in SARS-CoV-2 S protein S1 region - - - - - - - - - Anthony Huffman - AA variant in SARS-CoV-2 S protein S1 RBD region - - - - - - - - - Anthony Huffman - AA variant in SARS-CoV-2 S protein S1 NTD region - - - - - - - - - Anthony Huffman - AA variant in SARS-CoV-2 S protein S2 region - - - - - - - - - - - - - - - - - - - - AA variant in SARS-CoV-2 N protein - - - - - - - - - AA variant in SARS-CoV-2 N protein LKR region - - - - - - - - - - - - - - - - - - - - - + + - Anthony Huffman - AA variant in SARS-CoV-2 E protein - - - - - - - - - Anthony Huffman - AA variant in SARS-CoV-2 NS7 protein - - - - - - - - - - - - - - - - - - - - - + + + + + + 73 + + + An AA mutation or AA variant that has mutated an amino acid at position 73 into a cysteine in ns8. Anthony Huffman - AA variant in SARS-CoV-2 ORF1ab polyprotein product - - - - - - - - - SARS-CoV-2 protein amino acid deletion - - - - - - - - - AA variant in SARS-CoV-2 NS3a protein - AA variant in SARS-CoV-2 NS3 protein - - - - - - - - - Anthony Huffman - AA variant in SARS-CoV-2 NS8 protein - - - - - - - - - - - - - - - - - - - - Anthony Huffman - AA variant in SARS-CoV-2 M protein + Y73C in SARS-CoV-2 NS8 protein - + - - + + - + - - + + + + + + + + - 71 + 49 - An AA mutation or AA variant that has mutated an amino acid at position 71 into a leucine + An AA mutation or AA variant that has mutated an amino acid at position 49 into a deletion Anthony Huffman - P71L in SARS-CoV-2 E protein + https://cov-lineages.org/ + S49- in SARS-CoV-2 S protein - + - - + + - - + + - 9 + 570 - An AA mutation or AA variant that has mutated an amino acid at position 9 into a threonine + An AA mutation or AA variant that has mutated an amino acid at position 570 into aspartic acid in S protein. Anthony Huffman - T9I in SARS-CoV-2 E protein + https://cov-lineages.org/ + A570D in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + + + + + + + - 63 + 67 - An AA mutation or AA variant that has mutated an amino acid at position 63 into a threonine + An AA mutation or AA variant that has mutated an amino acid at position 67 into a valine in S protein. Anthony Huffman - A63T in SARS-CoV-2 M protein + https://cov-lineages.org/ + A67V in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 3 + 118 - An AA mutation or AA variant that has mutated an amino acid at position 3 into a aspartic acid + An AA mutation or AA variant that has mutated an amino acid at position 118 into a histidine in S protein. Anthony Huffman - D3G in SARS-CoV-2 M protein + https://cov-lineages.org/ + D118H in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 182 + 138 - An AA mutation or AA variant that has mutated an amino acid at position 182 into a threonine + An AA mutation or AA variant that has mutated an amino acid at position 138 into a tyrosine in S protein. Anthony Huffman - I82T in SARS-CoV-2 M protein + https://cov-lineages.org/ + D138Y in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 19 + 215 - An AA mutation or AA variant that has mutated an amino acid at position 19 into a glutamine + An AA mutation or AA variant that has mutated an amino acid at position 215 into a glycine in S protein. Anthony Huffman - Q19E in SARS-CoV-2 M protein + https://cov-lineages.org/ + D215G in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 377 + 796 - An AA mutation or AA variant that has mutated an amino acid at position 377 into a tyrosine + An AA mutation or AA variant that has mutated an amino acid at position 796 into a tyrosine in S protein. Anthony Huffman https://cov-lineages.org/ - https://covariants.org/variants - D377Y in SARS-CoV-2 N protein + D796Y in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 3 + 80 - An AA mutation or AA variant that has mutated an amino acid at position 3 into a leucine + An AA mutation or AA variant that has mutated an amino acid at position 80 into a alanine in S protein. Anthony Huffman - D3L in SARS-CoV-2 N protein + https://cov-lineages.org/ + D80A in SARS-CoV-2 S protein - + - - + + - + @@ -83732,114 +106550,118 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + - 63 + 950 - An AA mutation or AA variant that has mutated an amino acid at position 63 into a glycine + An AA mutation or AA variant that has mutated an amino acid at position 950 into a aspargine in S protein. Anthony Huffman - D63G in SARS-CoV-2 N protein + https://cov-lineages.org/ + D950N in SARS-CoV-2 S protein - + - - + + - - + + - - + + - 800 + 156 - An AA variant that has mutated an amino acid at position 800 into a arginine + An AA mutation or AA variant that has mutated an amino acid at position 156 into a deletion Anthony Huffman - P80R in SARS-CoV-2 N protein + https://cov-lineages.org/ + E156- in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 203 + 484 - An AA mutation or AA variant that has mutated an amino acid at position 203 into a methionine + An AA mutation or AA variant that has mutated an amino acid at position 484 into a alanine in S protein. Anthony Huffman - R203M in SARS-CoV-2 N protein + https://cov-lineages.org/ + E484A in SARS-CoV-2 S protein - + - - + + - + - - + + - - 235 + + - An AA mutation or AA variant that has mutated an amino acid at position 235 into a phenylalanine - Anthony Huffman - S235F in SARS-CoV-2 N protein - - - - - - - - - - + + @@ -83848,143 +106670,184 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + + + + + + + - 205 + 484 - An AA mutation or AA variant that has mutated an amino acid at position 205 into a isoleucine + An AA mutation or AA variant that has mutated an amino acid at position 484 into a lysine in S protein. Anthony Huffman - T205I in SARS-CoV-2 N protein + https://cov-lineages.org/ + E484K in SARS-CoV-2 S protein - + - - + + - - + + - - + + - 1708 + 157 - An AA mutation or AA variant that has mutated an amino acid at position 1708 into a aspartic acid + An AA mutation or AA variant that has mutated an amino acid at position 157 into a deletion Anthony Huffman - A1708D in SARS-CoV-2 pp1a protein + https://cov-lineages.org/ + F157- in SARS-CoV-2 S protein - + - - + + - - + + - - + + + + + + + + - 3677 + 339 - An AA mutation or AA variant that has mutated an amino acid at position 3677 into a deletion + An AA mutation or AA variant that has mutated an amino acid at position 339 into a aspartic acid in S protein. Anthony Huffman - F3677- in SARS-CoV-2 pp1a protein + https://cov-lineages.org/ + G339D in SARS-CoV-2 S protein - + - - + + - - + + - - + + + + + + + + - 3676 + 446 - An AA mutation or AA variant that has mutated an amino acid at position 3676 into a deletion + An AA mutation or AA variant that has mutated an amino acid at position 446 into a serine in S protein. Anthony Huffman - G3676- in SARS-CoV-2 pp1a protein + https://cov-lineages.org/ + G446S in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 2230 + 496 - An AA mutation or AA variant that has mutated an amino acid at position 2230 into a threonine + An AA mutation or AA variant that has mutated an amino acid at position 496 into a serine in S protein. Anthony Huffman - I2230T in SARS-CoV-2 pp1a protein + https://cov-lineages.org/ + G496S in SARS-CoV-2 S protein - + - - + + - + + + + + + + @@ -83996,20 +106859,21 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - 3758 + 655 - An AA mutation or AA variant that has mutated an amino acid at position 3758 into a valine + An AA mutation or AA variant that has mutated an amino acid at position 655 into a tyrosine in S protein. Anthony Huffman - I3758V in SARS-CoV-2 pp1a protein + https://cov-lineages.org/ + H655Y in SARS-CoV-2 S protein - + - - + + @@ -84019,30 +106883,37 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + + + + + + + - 1655 + 417 - An AA mutation or AA variant that has mutated an amino acid at position 1655 into a aspargine + An AA mutation or AA variant that has mutated an amino acid at position 417 into a asparagine in S protein. Anthony Huffman - K1655N in SARS-CoV-2 pp1a protein + https://cov-lineages.org/ + K417N in SARS-CoV-2 S protein - + - - + + - + @@ -84051,172 +106922,220 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + - 1795 + 417 - An AA mutation or AA variant that has mutated an amino acid at position 1795 into a glutamine + An AA mutation or AA variant that has mutated an amino acid at position 417 into a threonine in S protein. Anthony Huffman - K1795Q in SARS-CoV-2 pp1a protein + https://cov-lineages.org/ + K417T in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 856 + 18 - An AA mutation or AA variant that has mutated an amino acid at position 856 into a arginine + An AA mutation or AA variant that has mutated an amino acid at position 18 into a phenylalanine Anthony Huffman - K856R in SARS-CoV-2 pp1a protein + https://cov-lineages.org/ + L18F in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + + + + + + + - 3395 + 452 - An AA mutation or AA variant that has mutated an amino acid at position 3395 into a histidine + An AA mutation or AA variant that has mutated an amino acid at position 452 into a arginine Anthony Huffman - P3395H in SARS-CoV-2 pp1a protein + https://cov-lineages.org/ + L452R in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 1188 + 981 - An AA mutation or AA variant that has mutated an amino acid at position 1188 into a leucine + An AA mutation or AA variant that has mutated an amino acid at position 981 into a phenylalanine in S protein. Anthony Huffman - S1188L in SARS-CoV-2 pp1a protein + https://cov-lineages.org/ + L981F in SARS-CoV-2 S protein - + - - + + - - + + - - + + + + + + + + - 3675 + 211 - An AA mutation or AA variant that has mutated an amino acid at position 3675 into a deletion + An AA mutation or AA variant that has mutated an amino acid at position 211 into a isoleucine Anthony Huffman - S3675- in SARS-CoV-2 pp1a protein + https://cov-lineages.org/ + N211I in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 1001 + 679 - An AA mutation or AA variant that has mutated an amino acid at position 1001 into a isoleucine + An AA mutation or AA variant that has mutated an amino acid at position 679 into a lysine in S protein. Anthony Huffman - T1001I in SARS-CoV-2 pp1a protein + https://cov-lineages.org/ + N679K in SARS-CoV-2 S protein - + - - + + - + @@ -84225,56 +107144,70 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + - 3255 + 764 - An AA mutation or AA variant that has mutated an amino acid at position 3255 into a isoleucine + An AA mutation or AA variant that has mutated an amino acid at position 764 into a lysine in S protein. Anthony Huffman - T3255I in SARS-CoV-2 pp1a protein + https://cov-lineages.org/ + N764K in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 662 + 856 - An AA mutation or AA variant that has mutated an amino acid at position 662 into a serine + An AA mutation or AA variant that has mutated an amino acid at position 856 into a lysine in S protein. Anthony Huffman - G662S in SARS-CoV-2 pp1b protein + https://cov-lineages.org/ + N856K in SARS-CoV-2 S protein - + - - + + - + @@ -84283,68 +107216,82 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + - 1566 + 969 - An AA mutation or AA variant that has mutated an amino acid at position 1566 into a valine + An AA mutation or AA variant that has mutated an amino acid at position 969 into a lysine in S protein. Anthony Huffman - I1566V in SARS-CoV-2 pp1b protein + https://cov-lineages.org/ + N969K in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 1000 + 26 - An AA mutation or AA variant that has mutated an amino acid at position 1000 into a leucine + An AA mutation or AA variant that has mutated an amino acid at position 26 into a serine Anthony Huffman - P1000L in SARS-CoV-2 pp1b protein + https://cov-lineages.org/ + P26S in SARS-CoV-2 S protein - + - - + + - + - - + + - + @@ -84353,27 +107300,40 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + - 314 + 681 - An AA mutation or AA variant that has mutated an amino acid at position 314 into a leucine + An AA mutation or AA variant that has mutated an amino acid at position 681 into a histidine in S protein. Anthony Huffman - P314L in SARS-CoV-2 pp1b protein + https://cov-lineages.org/ + P681H in SARS-CoV-2 S protein - + - - + + - + + + + + + + @@ -84382,340 +107342,382 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + - 26 + 681 - An AA mutation or AA variant that has mutated an amino acid at position 26 into a leucine + An AA mutation or AA variant that has mutated an amino acid at position 681 into a arginine in S protein. Anthony Huffman - S26L in SARS-CoV-2 NS3 protein + https://cov-lineages.org/ + P681R in SARS-CoV-2 S protein - + - - + + - + - + - 120 + 493 - An AA mutation or AA variant that has mutated an amino acid at position 120 into a isoleucine + An AA mutation or AA variant that has mutated an amino acid at position 493 into a arginine in S protein. Anthony Huffman - T120I in SARS-CoV-2 NS7 protein + https://cov-lineages.org/ + Q493R in SARS-CoV-2 S protein - + - - + + - + - + - 82 + 498 - An AA mutation or AA variant that has mutated an amino acid at position 82 into a alanine + An AA mutation or AA variant that has mutated an amino acid at position 498 into a arginine in S protein. Anthony Huffman - V82A in SARS-CoV-2 NS7 protein + https://cov-lineages.org/ + Q498R in SARS-CoV-2 S protein - + - - + + - + - - - - - - - 92 + - An AA mutation or AA variant that has mutated an amino acid at position 92 into a lysine - Anthony Huffman - E92K in SARS-CoV-2 NS8 protein - - - - - - - - - - + + - 27 + 954 - An AA mutation or AA variant that has mutated an amino acid at position 27 into a stop mutaiton. + An AA mutation or AA variant that has mutated an amino acid at position 954 into a histidine in S protein. Anthony Huffman - Q27* in SARS-CoV-2 NS8 protein + https://cov-lineages.org/ + Q954H in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 52 + 158 - An AA mutation or AA variant that has mutated an amino acid at position 52 into a isoleucine + An AA mutation or AA variant that has mutated an amino acid at position 158 into a glycine Anthony Huffman - R52I in SARS-CoV-2 NS8 protein + https://cov-lineages.org/ + R158G in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 73 + 190 - An AA mutation or AA variant that has mutated an amino acid at position 73 into a cystiene + An AA mutation or AA variant that has mutated an amino acid at position 190 into a serine Anthony Huffman - Y73C in SARS-CoV-2 NS8 protein + https://cov-lineages.org/ + R190S in SARS-CoV-2 S protein - + - - + + - + - - + + + + + + + + - 49 + 371 - An AA mutation or AA variant that has mutated an amino acid at position 49 into a deletion + An AA mutation or AA variant that has mutated an amino acid at position 371 into a leucine in S protein. Anthony Huffman - S49- in SARS-CoV-2 S protein + https://cov-lineages.org/ + S371L in SARS-CoV-2 S protein - + - - + + - - + + - - + + + + + + + + - 70 + 373 - An AA mutation or AA variant that has mutated an amino acid at position 70 into a aspartic acid + An AA mutation or AA variant that has mutated an amino acid at position 373 into a proline in S protein. Anthony Huffman - A570D in SARS-CoV-2 S protein + https://cov-lineages.org/ + S373P in SARS-CoV-2 S protein - + - - + + - + + + + + + + - - + + - 67 + 375 - An AA mutation or AA variant that has mutated an amino acid at position 67 into a valine + An AA mutation or AA variant that has mutated an amino acid at position 375 into a phenylalanine in S protein. Anthony Huffman - A67V in SARS-CoV-2 S protein + https://cov-lineages.org/ + S375F in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 118 + 477 - An AA mutation or AA variant that has mutated an amino acid at position 118 into a histidine + An AA mutation or AA variant that has mutated an amino acid at position 477 into a asparagine in S protein. Anthony Huffman - D118H in SARS-CoV-2 S protein + https://cov-lineages.org/ + S477N in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 138 + 982 - An AA mutation or AA variant that has mutated an amino acid at position 138 into a tyrosine + An AA mutation or AA variant that has mutated an amino acid at position 982 into a alanine in S protein. Anthony Huffman - D138Y in SARS-CoV-2 S protein + https://cov-lineages.org/ + S982A in SARS-CoV-2 S protein - + - - + + - + @@ -84724,56 +107726,70 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + - 215 + 1027 - An AA mutation or AA variant that has mutated an amino acid at position 215 into a glycine + An AA mutation or AA variant that has mutated an amino acid at position 1027 into a isoleucine in S protein. Anthony Huffman - D215G in SARS-CoV-2 S protein + https://cov-lineages.org/ + T1027I in SARS-CoV-2 S protein - + - - + + - + - + + + + + + + - 796 + 19 - An AA mutation or AA variant that has mutated an amino acid at position 796 into a tyrosine + An AA mutation or AA variant that has mutated an amino acid at position 19 into a arginine in S protein. Anthony Huffman - D796Y in SARS-CoV-2 S protein + https://cov-lineages.org/ + T19R in SARS-CoV-2 S protein - + - - + + - + @@ -84782,27 +107798,34 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + - 80 + 20 - An AA mutation or AA variant that has mutated an amino acid at position 80 into a alanine + An AA mutation or AA variant that has mutated an amino acid at position 20 into a aspargine in S protein. Anthony Huffman - D80A in SARS-CoV-2 S protein + https://cov-lineages.org/ + T20N in SARS-CoV-2 S protein - + - - + + - + @@ -84813,48 +107836,38 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - - 950 + + - An AA mutation or AA variant that has mutated an amino acid at position 950 into a aspargine - Anthony Huffman - D950N in SARS-CoV-2 S protein - - - - - - - - - - + + - 156 + 478 - An AA mutation or AA variant that has mutated an amino acid at position 156 into a deletion + An AA mutation or AA variant that has mutated an amino acid at position 478 into a lysine in S protein. Anthony Huffman - E156- in SARS-CoV-2 S protein + https://cov-lineages.org/ + T478K in SARS-CoV-2 S protein - + - - + + - + @@ -84863,114 +107876,121 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + - 484 + 547 - An AA mutation or AA variant that has mutated an amino acid at position 484 into a alanine + An AA mutation or AA variant that has mutated an amino acid at position 547 into a lysine in S protein. Anthony Huffman - E484A in SARS-CoV-2 S protein + https://cov-lineages.org/ + T547K in SARS-CoV-2 S protein - + - - + + - + - + - - + + - 484 + 716 - An AA mutation or AA variant that has mutated an amino acid at position 484 into a lysine + An AA mutation or AA variant that has mutated an amino acid at position 716 into a isoleucine in S protein. Anthony Huffman - E484K in SARS-CoV-2 S protein + https://cov-lineages.org/ + T716I in SARS-CoV-2 S protein - + - - + + - - + + - - 157 + + - An AA mutation or AA variant that has mutated an amino acid at position 157 into a deletion - Anthony Huffman - F157- in SARS-CoV-2 S protein - - - - - - - - - - + + - - + + - 6339 + 95 - An AA mutation or AA variant that has mutated an amino acid at position 6339 into a aspartic acid + An AA mutation or AA variant that has mutated an amino acid at position 95 into a isoleucine in S protein. Anthony Huffman - G339D in SARS-CoV-2 S protein + https://cov-lineages.org/ + T95I in SARS-CoV-2 S protein - + - - + + + SARS-CoV-2 induced syncytia formation + + + + + + + + - + @@ -84979,203 +107999,273 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + - 446 + 888 - An AA mutation or AA variant that has mutated an amino acid at position 446 into a serine + An AA mutation or AA variant that has mutated an amino acid at position 888 into a leucine in S protein. Anthony Huffman - G446S in SARS-CoV-2 S protein + https://cov-lineages.org/ + F888L in SARS-CoV-2 S protein - + - - + + - + - - + + + + + + + + - 696 + 2007 - An AA mutation or AA variant that has mutated an amino acid at position 696 into a serine + An AA mutation or AA variant that has mutated an amino acid at position 2007 into isoleucine Anthony Huffman - G496S in SARS-CoV-2 S protein + https://cov-lineages.org/ + T2007I in SARS-CoV-2 pp1a protein - + - - + + - + - - + + - - + + - 655 + 1203 - An AA mutation or AA variant that has mutated an amino acid at position 655 into a histidine + An AA mutation or AA variant that has mutated an amino acid at position 314 into a phenylalanine in pp1b. Anthony Huffman - H655Y in SARS-CoV-2 S protein + https://cov-lineages.org/ + L1203F in SARS-CoV-2 pp1b protein - + - - + + - + - - + + + + + + + + - 417 + 777 - An AA mutation or AA variant that has mutated an amino acid at position 417 into a asparagine + An AA mutation or AA variant that has mutated an amino acid at position 777 into a histidine in S protein. Anthony Huffman - K417N in SARS-CoV-2 S protein + https://cov-lineages.org/ + Q777H in SARS-CoV-2 S protein - + - - + + + An AA variant that is found within pp1a of SARS-CoV-2 + AA variant pp1a SARS-CoV-2 + + + + + + + + + An AA variant that is found within pp1b of SARS-CoV-2. + Anthony Huffman + AA variant pp1b SARS-CoV-2 + + + + + + + + - + - - + + + + + + + + - 417 + 314 - An AA mutation or AA variant that has mutated an amino acid at position 417 into a threonine + An AA mutation or AA variant that has mutated an amino acid at position 314 into a phenylalanine in pp1b. Anthony Huffman - K417T in SARS-CoV-2 S protein + https://cov-lineages.org/ + P314F in SARS-CoV-2 pp1b protein - + - - + + - + - - + + + + + + + + - 18 + 3468 - An AA mutation or AA variant that has mutated an amino acid at position 18 into a phenylalanine + An AA mutation or AA variant that has mutated an amino acid at position 3468 into a valine in pp1a. Anthony Huffman - L18F in SARS-CoV-2 S protein + https://cov-lineages.org/ + L3468V in SARS-CoV-2 pp1a protein - + - - + + - + - - + + + + + + + + + + + + + + - 452 + 3468 - An AA mutation or AA variant that has mutated an amino acid at position 452 into a arginine + An AA mutation or AA variant that has mutated an amino acid at position 3930 into a phenylalanine in pp1a. Anthony Huffman - L452R in SARS-CoV-2 S protein + https://cov-lineages.org/ + L3930F in SARS-CoV-2 pp1a protein - + - - + + @@ -85184,85 +108274,76 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - - - - - - - - 981 + + - An AA mutation or AA variant that has mutated an amino acid at position 981 into a phenylalanine - Anthony Huffman - L981F in SARS-CoV-2 S protein - - - - - - - - - - + + - - + + - 211 + 1176 - An AA mutation or AA variant that has mutated an amino acid at position 211 into a isoleucine + An AA mutation or AA variant that has mutated an amino acid at position 1176 into a phenylalanine in S protein. Anthony Huffman - N211I in SARS-CoV-2 S protein + https://cov-lineages.org/ + V1176F in SARS-CoV-2 S protein - + - - + + - + - - + + + + + + + + - 679 + 1101 - An AA mutation or AA variant that has mutated an amino acid at position 679 into a lysine + An AA mutation or AA variant that has mutated an amino acid at position 1101 into a tyrosine in S protein. Anthony Huffman - N679K in SARS-CoV-2 S protein + https://cov-lineages.org/ + H1101Y in SARS-CoV-2 S protein - + - - + + @@ -85271,236 +108352,285 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - - + + + + + + + + - 764 + 1092 - An AA mutation or AA variant that has mutated an amino acid at position 764 into a lysine + An AA mutation or AA variant that has mutated an amino acid at position 1092 into a glutamic acid in S protein. Anthony Huffman - N764K in SARS-CoV-2 S protein + https://cov-lineages.org/ + E1092K in SARS-CoV-2 S protein - + - - + + - + - - + + + + + + + + - 856 + 1554 - An AA mutation or AA variant that has mutated an amino acid at position 856 into a lysine + An AA variant that has mutated an amino acid at position 1554 into a glycine in pp1a. Anthony Huffman - N856K in SARS-CoV-2 S protein + https://cov-lineages.org/ + D1554G in SARS-CoV-2 pp1a protein - + - - + + - + - - + + + + + + + + - 969 + 1554 - An AA mutation or AA variant that has mutated an amino acid at position 969 into a lysine + An AA mutation or AA variant that has mutated an amino acid at position 1554 into a phenylalanine in pp1a. Anthony Huffman - N969K in SARS-CoV-2 S protein + https://cov-lineages.org/ + S2625F in SARS-CoV-2 pp1a protein - + - - + + - + - - + + + + + + + + - 26 + 2980 - An AA mutation or AA variant that has mutated an amino acid at position 26 into a serine + An AA variant that has mutated an amino acid at position 2980 into an arginine Anthony Huffman - P26S in SARS-CoV-2 S protein + https://cov-lineages.org/ + D2980N in SARS-CoV-2 pp1a protein - + - - + + - + - - + + - - + + - 681 + 3201 - An AA mutation or AA variant that has mutated an amino acid at position 681 into a histidine + An AA mutation or AA variant that has mutated an amino acid at position 3201 into a leucine in pp1a. Anthony Huffman - P681H in SARS-CoV-2 S protein + https://cov-lineages.org/ + L3201P in SARS-CoV-2 pp1a protein - + - - + + - + - - + + + + + + + + - 681 + 1567 - An AA mutation or AA variant that has mutated an amino acid at position 681 into a arginine + An AA mutation or AA variant that has mutated an amino acid at position 1567 into isoleucine in pp1a. Anthony Huffman - P681R in SARS-CoV-2 S protein + https://cov-lineages.org/ + T15671I in SARS-CoV-2 pp1a protein - + - - + + - + - - + + + + + + + + - 493 + 3646 - An AA mutation or AA variant that has mutated an amino acid at position 493 into a arginine + An AA mutation or AA variant that has mutated an amino acid at position 3646 into alanine in pp1a. Anthony Huffman - Q493R in SARS-CoV-2 S protein + T3646A in SARS-CoV-2 pp1a protein - + - - + + - + - - + + + + + + + + - 498 + 484 - An AA mutation or AA variant that has mutated an amino acid at position 498 into a arginine + An AA mutation or AA variant that has mutated an amino acid at position 484 into glutamine in S protein. Anthony Huffman - Q498R in SARS-CoV-2 S protein + https://cov-lineages.org/ + E484Q in SARS-CoV-2 S protein - + - - + + @@ -85509,425 +108639,473 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - - + + + + + + + + - 954 + 1071 - An AA mutation or AA variant that has mutated an amino acid at position 954 into a histidine + An AA mutation or AA variant that has mutated an amino acid at position 1071 into a histidine in S protein. Anthony Huffman - Q954H in SARS-CoV-2 S protein + https://cov-lineages.org/ + Q1071H in SARS-CoV-2 S protein - + - - + + - + - - + + + + + + + + - 158 + 1203 - An AA mutation or AA variant that has mutated an amino acid at position 158 into a glycine + An AA mutation or AA variant that has mutated an amino acid at position 1011 into a glutamine in pp1b. Anthony Huffman - R158G in SARS-CoV-2 S protein + https://cov-lineages.org/ + Q1011H in SARS-CoV-2 pp1b protein - + - - + + - + - - + + + + + + + + - 190 + 95 - An AA mutation or AA variant that has mutated an amino acid at position 190 into a serine + An AA mutation or AA variant that has mutated an amino acid at position 253 into glycine in S protein. Anthony Huffman - R190S in SARS-CoV-2 S protein + https://cov-lineages.org/ + D253G in SARS-CoV-2 S protein - + - - + + - + - - + + - 371 + 222 - An AA mutation or AA variant that has mutated an amino acid at position 371 into a leucine Anthony Huffman - S371L in SARS-CoV-2 S protein + https://cov-lineages.org/ + An AA variant that has mutated an amino acid at position 75 into valine in S protein. + G75V in SARS-CoV-2 S protein - + - - + + - + - - + + - 373 + 222 - An AA mutation or AA variant that has mutated an amino acid at position 373 into a proline - Anthony Huffman - S373P in SARS-CoV-2 S protein + https://cov-lineages.org/ + An AA variant that has mutated an amino acid at position 76 into isoleucine in S protein. + T76I in SARS-CoV-2 S protein - + - - + + - + - - + + + + + + + + - 375 + 452 - An AA mutation or AA variant that has mutated an amino acid at position 375 into a phenylalanine + An AA mutation or AA variant that has mutated an amino acid at position 452 into glutamine in S protein. Anthony Huffman - S375F in SARS-CoV-2 S protein + https://cov-lineages.org/ + L452Q in SARS-CoV-2 S protein - + - - + + - + - - + + - 477 + 222 - An AA mutation or AA variant that has mutated an amino acid at position 477 into a asparagine - Anthony Huffman - S477N in SARS-CoV-2 S protein + S-A222V + https://cov-lineages.org/ + An AA variant that has mutated an amino acid at position 859 into arginine in S protein. + T859N in SARS-CoV-2 S protein - + - - + + - + - - + + + + + + + + - 982 + 452 - An AA mutation or AA variant that has mutated an amino acid at position 982 into a alanine + An AA mutation or AA variant that has mutated an amino acid at position 452 into aspargine in S protein. Anthony Huffman - S982A in SARS-CoV-2 S protein + https://cov-lineages.org/ + R246N in SARS-CoV-2 S protein - + - - + + - + - - + + + + + + + + - 1027 + 222 - An AA mutation or AA variant that has mutated an amino acid at position 1027 into a isoleucine - Anthony Huffman - T1027I in SARS-CoV-2 S protein + https://cov-lineages.org/ + An AA variant that has mutated an amino acid at position 152 into cystiene in S protein. + W152C in SARS-CoV-2 S protein - + - - + + - + - - + + + + + + + + - 19 + 222 - An AA mutation or AA variant that has mutated an amino acid at position 19 into a arginine - Anthony Huffman - T19R in SARS-CoV-2 S protein + An AA variant that has mutated an amino acid at position 13 into isoleucine in S protein + https://cov-lineages.org/ + S13I in SARS-CoV-2 S protein - + - - + + - + - - + + + + + + + + - 20 + 1001 - An AA mutation or AA variant that has mutated an amino acid at position 20 into a aspargine + An AA mutation or AA variant that has mutated an amino acid at position 265 into a isoleucine in pp1a. Anthony Huffman - T20N in SARS-CoV-2 S protein + https://cov-lineages.org/ + T265I in SARS-CoV-2 pp1a protein - + - - + + - - + + - - + + - - + + - 478 + 3159 - An AA mutation or AA variant that has mutated an amino acid at position 478 into a lysine + An AA mutation or AA variant that has mutated an amino acid at position 3159 into threonine in pp1a. Anthony Huffman - T478K in SARS-CoV-2 S protein + https://cov-lineages.org/ + S3159T in SARS-CoV-2 pp1a protein - + - - + + - - - - - - - + - - 547 + + - An AA mutation or AA variant that has mutated an amino acid at position 547 into a lysine - Anthony Huffman - T547K in SARS-CoV-2 S protein - - - - - - - - - - + + - 716 + 1183 - An AA mutation or AA variant that has mutated an amino acid at position 716 into a threonine + An AA variant that has mutated a pp1b amino acid at position 1183 into tyrosine. Anthony Huffman - T716I in SARS-CoV-2 S protein + https://cov-lineages.org/ + D1183Y in SARS-CoV-2 pp1b protein - + - - + + - + - - + + + + + + + + - 95 + 3159 - An AA mutation or AA variant that has mutated an amino acid at position 95 into a threonine + An AA variant that has mutated an pp1b amino acid at position 976 into leucine in pp1b. Anthony Huffman - T95I in SARS-CoV-2 S protein + https://cov-lineages.org/ + P976L in SARS-CoV-2 pp1b protein @@ -88561,6 +111739,18 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + + + + + + + @@ -88679,6 +111869,12 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + @@ -88704,6 +111900,18 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + + + + + + + @@ -88729,6 +111937,18 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + + + + + + + @@ -89541,6 +112761,12 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + @@ -89566,6 +112792,18 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + + + + + + + @@ -89594,7 +112832,7 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator - + @@ -89970,6 +113208,12 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + @@ -90076,6 +113320,18 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + + + + + + + @@ -90238,6 +113494,12 @@ https://www.fda.gov/medical-devices/ivd-regulatory-assistance/clinical-laborator + + + + + + @@ -90358,6 +113620,18 @@ Liat System + + + + + + + + + + + + @@ -91056,6 +114330,12 @@ Liat System + + + + + + @@ -91596,6 +114876,18 @@ Liat System + + + + + + + + + + + + @@ -91646,6 +114938,18 @@ Liat System + + + + + + + + + + + + @@ -91770,6 +115074,18 @@ Liat System + + + + + + + + + + + + @@ -91839,6 +115155,12 @@ Liat System + + + + + + @@ -91914,6 +115236,18 @@ Liat System + + + + + + + + + + + + @@ -92245,6 +115579,18 @@ Liat System + + + + + + + + + + + + @@ -92450,6 +115796,12 @@ Liat System + + + + + + @@ -93482,6 +116834,12 @@ Liat System + + + + + + @@ -93507,6 +116865,12 @@ Liat System + + + + + + @@ -93660,7 +117024,7 @@ Liat System - + @@ -93688,6 +117052,18 @@ Liat System + + + + + + + + + + + + @@ -93914,6 +117290,18 @@ Liat System + + + + + + + + + + + + @@ -94458,6 +117846,18 @@ Liat System + + + + + + + + + + + + @@ -94816,6 +118216,18 @@ Liat System + + + + + + + + + + + + @@ -94935,6 +118347,18 @@ Liat System + + + + + + + + + + + + @@ -95398,6 +118822,12 @@ Liat System + + + + + + @@ -95480,6 +118910,12 @@ Liat System + + + + + + @@ -95505,6 +118941,18 @@ Liat System + + + + + + + + + + + + @@ -95831,6 +119279,18 @@ POC: https://www.fda.gov/media/136315/download + + + + + + + + + + + + @@ -95856,12 +119316,24 @@ POC: https://www.fda.gov/media/136315/download + + + + + + + + + + + + @@ -95887,12 +119359,6 @@ POC: https://www.fda.gov/media/136315/download - - - - - - @@ -95912,6 +119378,18 @@ POC: https://www.fda.gov/media/136315/download + + + + + + + + + + + + @@ -95931,12 +119409,6 @@ POC: https://www.fda.gov/media/136315/download - - - - - - @@ -95959,13 +119431,7 @@ POC: https://www.fda.gov/media/136315/download - - - - - - - + @@ -95987,6 +119453,12 @@ POC: https://www.fda.gov/media/136315/download + + + + + + @@ -96015,7 +119487,7 @@ POC: https://www.fda.gov/media/136315/download - + @@ -96040,7 +119512,7 @@ POC: https://www.fda.gov/media/136315/download - + @@ -96065,7 +119537,7 @@ POC: https://www.fda.gov/media/136315/download - + @@ -96093,12 +119565,6 @@ POC: https://www.fda.gov/media/136315/download - - - - - - @@ -96118,12 +119584,6 @@ POC: https://www.fda.gov/media/136315/download - - - - - - @@ -96155,6 +119615,24 @@ POC: https://www.fda.gov/media/136315/download + + + + + + + + + + + + + + + + + + @@ -96212,12 +119690,6 @@ POC: https://www.fda.gov/media/136315/download - - - - - - @@ -96240,7 +119712,7 @@ POC: https://www.fda.gov/media/136315/download - + @@ -96262,12 +119734,6 @@ POC: https://www.fda.gov/media/136315/download - - - - - - @@ -96299,6 +119765,12 @@ POC: https://www.fda.gov/media/136315/download + + + + + + @@ -96343,6 +119815,12 @@ POC: https://www.fda.gov/media/136315/download + + + + + + @@ -96438,18 +119916,6 @@ POC: https://www.fda.gov/media/136315/download - - - - - - - - - - - - @@ -96475,6 +119941,12 @@ POC: https://www.fda.gov/media/136315/download + + + + + + @@ -96519,6 +119991,12 @@ POC: https://www.fda.gov/media/136315/download + + + + + + @@ -96538,18 +120016,6 @@ POC: https://www.fda.gov/media/136315/download - - - - - - - - - - - - @@ -96606,6 +120072,12 @@ POC: https://www.fda.gov/media/136315/download + + + + + + @@ -96656,6 +120128,18 @@ POC: https://www.fda.gov/media/136315/download + + + + + + + + + + + + @@ -96675,12 +120159,6 @@ POC: https://www.fda.gov/media/136315/download - - - - - - @@ -103828,8 +127306,7 @@ OMIM mapping confirmed by DO. [SN]. - Note that, in addition to forming the root of the molecular function ontology, this term is recommended for use for the annotation of gene products whose molecular function is unknown. When this term is used for annotation, it indicates that no information was available about the molecular function of the gene product annotated as of the date the annotation was made; the evidence code "no data" (ND), is used to indicate this. Despite its name, this is not a type of 'function' in the sense typically defined by upper ontologies such as Basic Formal Ontology (BFO). It is instead a BFO:process carried out by a single gene product or complex. - Note that, in addition to forming the root of the molecular function ontology, this term is recommended for use for the annotation of gene products whose molecular function is unknown. When this term is used for annotation, it indicates that no information was available about the molecular function of the gene product annotated as of the date the annotation was made; the evidence code 'no data' (ND), is used to indicate this. Despite its name, this is not a type of 'function' in the sense typically defined by upper ontologies such as Basic Formal Ontology (BFO). It is instead a BFO:process carried out by a single gene product or complex. + Note that, in addition to forming the root of the molecular function ontology, this term is recommended for use for the annotation of gene products whose molecular function is unknown. When this term is used for annotation, it indicates that no information was available about the molecular function of the gene product annotated as of the date the annotation was made; the evidence code 'no data' (ND), is used to indicate this. Despite its name, this is not a type of 'function' in the sense typically defined by upper ontologies such as Basic Formal Ontology (BFO). It is instead a BFO:process carried out by a single gene product or complex. molecular_function @@ -107085,8 +130562,7 @@ OMIM mapping confirmed by DO. [SN]. - Note that, in addition to forming the root of the biological process ontology, this term is recommended for use for the annotation of gene products whose biological process is unknown. When this term is used for annotation, it indicates that no information was available about the biological process of the gene product annotated as of the date the annotation was made; the evidence code "no data" (ND), is used to indicate this. - Note that, in addition to forming the root of the biological process ontology, this term is recommended for use for the annotation of gene products whose biological process is unknown. When this term is used for annotation, it indicates that no information was available about the biological process of the gene product annotated as of the date the annotation was made; the evidence code 'no data' (ND), is used to indicate this. + Note that, in addition to forming the root of the biological process ontology, this term is recommended for use for the annotation of gene products whose biological process is unknown. When this term is used for annotation, it indicates that no information was available about the biological process of the gene product annotated as of the date the annotation was made; the evidence code 'no data' (ND), is used to indicate this. biological_process @@ -124649,6 +148125,7 @@ Request that IAO either clarify these or change definitions not to use them GC_ID:1 + Virus Viruses ncbi_taxonomy Vira @@ -148421,6 +171898,18 @@ https://www.nlm.nih.gov/medlineplus/ency/article/003088.htm + + + + + a cardiovascular disorder AE that has a vascular disorder outcome + + 10047065 + vascular disorder AE + + + + @@ -148452,6 +171941,22 @@ https://www.nlm.nih.gov/medlineplus/ency/article/003088.htm + + + + + A vascular disorder AE that results in the presence of blood clot along the wall of a blood vessel, frequently causing vascular obstruction. Some authorities differentiate thrombus formation from simple coagulation or clot formation. + SS, YH, MW + + 血栓症; 血栓生成 + 10043607 + thrombosis AE + HPO: HP_0004419 + SIDER: C0040053 + + + + @@ -149041,6 +172546,23 @@ https://www.nlm.nih.gov/medlineplus/ency/article/003088.htm + + + + + an immune system disorder AE that results in complex biological response of vascular tissues to harmful stimuli, such as pathogens, damaged cells, or irritants. Inflammation is a protective attempt by the organism to remove the injurious stimuli as well as initiate the healing process for the tissue greater than expected response to injury, infection, or insult. + SS, YH + WEB: http://en.wikipedia.org/wiki/Inflammation + + 10061218 + inflammation AE + HPO: HP_0007891 + MP: MP_0001846 + SIDER: C0021368 + + + + @@ -149102,6 +172624,18 @@ https://www.nlm.nih.gov/medlineplus/ency/article/003088.htm + + + + + an adverse event which occurs in a hematopoietic system, which is any structural or developmental anomaly of the blood cells or the organs associated with the development and formation of blood cells + + hematopoietic system AE + MP: MP_0002396 + + + + @@ -149293,6 +172827,39 @@ https://www.nlm.nih.gov/medlineplus/ency/article/003088.htm + + + + + an inflammation AE that has an outcome of inflammation of the heart muscle + SZ, SS, YH + WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0001204/ + + 10028606 + myocarditis AE + CTCAE: E10157 + NCIt: C34831 + + + + + + + + + + a hematopoietic system AE that has an outcome of decrease in platelets in the blood + SZ, SS, YH + WEB: http://www.nlm.nih.gov/medlineplus/ency/article/000586.htm + + 10043554 + thrombocytopenia AE + HPO: HP_0001873 + SIDER: C0040034 + + + + @@ -149353,6 +172920,72 @@ https://www.nlm.nih.gov/medlineplus/ency/article/003088.htm + + + + + a myocarditis AE that has asymptomatic with laboratory (e.g., BNP [B-Natriuretic Peptide ]) or cardiac imaging abnormalities + MW, YH + + Grade 1 myocarditis AE + CTCAE: E10158 + + + + + + + + + a myocarditis AE that has symptoms with mild to moderate activity or exertion + MW, YH + + Grade 2 myocarditis AE + CTCAE: E10159 + + + + + + + + + a myocarditis AE that has severe with symptoms at rest or with minimal activity or exertion; intervention indicated + MW, YH + + Grade 3 myocarditis AE + CTCAE: E10160 + + + + + + + + + a myocarditis AE that has life-threatening consequences; urgent intervention indicated (e.g., continuous IV therapy or mechanical hemodynamic support) + MW, YH + + Grade 4 myocarditis AE + CTCAE: E10161 + + + + + + + + + a myocarditis AE where the heart muscle is filled with lymphocytes and plasma cells that are not normally seen. + JX, YH + WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0001204/ + + 淋巴浆细胞性心肌炎 + lymphoplasmacytic myocarditis AE + + + + @@ -149390,6 +173023,91 @@ https://www.nlm.nih.gov/medlineplus/ency/article/003088.htm + + + + + + An adverse event in any patient presenting with both acute venous or arterial thrombosis AND new onset thrombocytopenia after a medical intervention such as vaccination. + Oliver He, Jessica DeGuise + TTS + https://brightoncollaboration.us/wp-content/uploads/2021/04/TTS-Case-Finding-and-Definition-Process.v9.0-April-16-202115853.pdf + + thrombosis with thrombocytopenia syndrome AE + + + + + + + + + A definit case of TTS + Oliver He, Jessica DeGuise + Level 1 thrombosis with thrombocytopenia syndrome AE + https://brightoncollaboration.us/wp-content/uploads/2021/04/TTS-Case-Finding-and-Definition-Process.v9.0-April-16-202115853.pdf + + Level 1 TTS AE + + + + + + + + + A probable case of TTS + Oliver He, Jessica DeGuise + Level 2 thrombosis with thrombocytopenia syndrome AE + https://brightoncollaboration.us/wp-content/uploads/2021/04/TTS-Case-Finding-and-Definition-Process.v9.0-April-16-202115853.pdf + + Level 2 TTS AE + + + + + + + + + A possible case TTS + Oliver He, Jessica DeGuise + Level 3 thrombosis with thrombocytopenia syndrome AE + https://brightoncollaboration.us/wp-content/uploads/2021/04/TTS-Case-Finding-and-Definition-Process.v9.0-April-16-202115853.pdf + + Level 3 TTS AE + + + + + + + + + A reported case as TTS but there is insufficient evidence to meet any level of the case. + Oliver He, Jessica DeGuise + Level 4 thrombosis with thrombocytopenia syndrome AE + https://brightoncollaboration.us/wp-content/uploads/2021/04/TTS-Case-Finding-and-Definition-Process.v9.0-April-16-202115853.pdf + + Level 4 TTS AE + + + + + + + + + most likely not a case of TTS + Oliver He, Jessica DeGuise + Level 5 thrombosis with thrombocytopenia syndrome AE + https://brightoncollaboration.us/wp-content/uploads/2021/04/TTS-Case-Finding-and-Definition-Process.v9.0-April-16-202115853.pdf + + Level 5 TTS AE + + + + @@ -155698,6 +179416,7 @@ This issue is outside the scope of OBI. http://purl.obolibrary.org/obo/obi.owl obi OBI:0100026 + Category=external. organism organism @@ -159311,6 +183030,21 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + + + + + + + + + + + protein antithrombin III is a protein @@ -159658,11 +183392,11 @@ https://sourceforge.net/p/obi/obi-terms/738/ IUPHARobj:570 EAG channel 1 - EAG1 KCNH1 ether-a-go-go potassium channel 1 protein EAG + EAG1 KHCN1 voltage-gated potassium channel subunit Kv10.1 PR:000000790 @@ -160384,13 +184118,13 @@ https://sourceforge.net/p/obi/obi-terms/738/ - A protein with a core domain architecture consisting of an extracellular domain containing two or three copies of the Immunoglobulin domain (Pfam:PF00047), followed by a single-pass transmembrane region and a small intracellular domain. The active protein is a low affinity receptor for immunoglobulin gamma chain Fc region. It comprises the translation products of the FCGR1 gene (mouse) or one of the closely related FCGR1A, FCGR1B, or FCGR1C genes (human). FCGR1C may be a pseudogene in human. + A protein with a core domain architecture consisting of an extracellular domain containing two or three copies of the Immunoglobulin domain (Pfam:PF00047), followed by a single-pass transmembrane region and a small intracellular domain. PIRSF:PIRSF001981 protein Fc-gamma receptor PR:000001356 - Category=family. + Category=family. Note: The active protein is a low affinity receptor for immunoglobulin gamma chain Fc region. It comprises the translation products of the FCGR1 gene (mouse) or one of the closely related FCGR1A, FCGR1B, or FCGR1C genes (human). FCGR1C may be a pseudogene in human. immunoglobulin gamma Fc receptor I @@ -160901,6 +184635,23 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A rhodopsin-like G-protein coupled receptor that is a translation product of the human F2R, or F2RL1 to F2RL3 genes, 1:1 orthologs thereof, or a semi-ortholog thereof. The active form binds trypsin-related proteinases. The proteinase cleaves the mature peptide, exposing a new amino end. The new N-terminal residues act as a tethered ligand that induces activity. + + IUPHARfam:59 + PIRSF:PIRSF037996 + fam:PAR + protein + PR:000001550 + Category=family. + proteinase-activated receptor + + + + @@ -161142,6 +184893,29 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A proteinase-activated receptor that is a translation product of the human F2RL1 gene or a 1:1 ortholog thereof. It is activated by trypsin and trypsin-like proteinases, which cleave the mature peptide, exposing a new amino end. The six new N-terminal residues act as a tethered ligand that induces activity. + + IUPHARobj:348 + F2RL1 + G-protein coupled receptor 11 + PAR-2 + coagulation factor II receptor-like 1 + thrombin receptor-like 1 + protein + GPR11 + Gpcr11 + PAR2 + PR:000001662 + Category=gene. + proteinase-activated receptor 2 + + + + @@ -161400,10 +185174,10 @@ https://sourceforge.net/p/obi/obi-terms/738/ An interleukin-1 receptor-associated kinase IRAK1/3 that is a translation product of the human IRAK1 gene or a 1:1 ortholog thereof. IUPHARobj:2042 - IRAK IRAK-1 IRAK1 protein + IRAK Il1rak PR:000001782 Category=gene. @@ -161423,6 +185197,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ IRAK-3 IRAK-M IRAK3 + inactive IL-1 receptor-associated kinase 3 protein PR:000001784 Category=gene. @@ -161782,7 +185557,6 @@ https://sourceforge.net/p/obi/obi-terms/738/ IUPHARobj:1807 PIRSF:PIRSF500949 - CD135 FL cytokine receptor FLK-2 FLT-3 @@ -161794,6 +185568,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ tyrosine-protein kinase receptor FLT3 tyrosine-protein kinase receptor flk-2 protein + CD135 FLK2 STK-1 STK1 @@ -162018,10 +185793,10 @@ https://sourceforge.net/p/obi/obi-terms/738/ PIRSF:PIRSF500951 CD117 KIT - SCFR proto-oncogene c-Kit tyrosine-protein kinase Kit protein + SCFR Sl PR:000002065 Category=gene. Requested by=CL. @@ -162153,9 +185928,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ IUPHARobj:1948 PIRSF:PIRSF500765 - ATK B-cell progenitor kinase - BPK BTK agammaglobulinaemia tyrosine kinase agammaglobulinemia tyrosine kinase @@ -162163,6 +185936,8 @@ https://sourceforge.net/p/obi/obi-terms/738/ kinase EMB protein AGMX1 + ATK + BPK PR:000002110 Category=gene. tyrosine-protein kinase BTK @@ -162673,7 +186448,6 @@ https://sourceforge.net/p/obi/obi-terms/738/ CAKB FADK 2 PTK2B - RAFTK calcium-dependent tyrosine kinase calcium-regulated non-receptor proline-rich tyrosine kinase cell adhesion kinase beta @@ -162682,6 +186456,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ protein FAK2 PYK2 + RAFTK PR:000003032 Category=gene. focal adhesion kinase 2 @@ -162717,7 +186492,6 @@ https://sourceforge.net/p/obi/obi-terms/738/ FK506-binding protein 12-rapamycin complex-associated protein 1 FKBP12-rapamycin complex-associated protein MTOR - RAPT1 mTOR mammalian target of rapamycin mechanistic target of rapamycin @@ -162727,6 +186501,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ FRAP1 FRAP2 RAFT1 + RAPT1 PR:000003041 Category=gene. serine/threonine-protein kinase mTOR @@ -162875,21 +186650,21 @@ https://sourceforge.net/p/obi/obi-terms/738/ IUPHARobj:1499 CRK1 CSAID-binding protein - CSBP MAP kinase 14 MAP kinase MXI2 MAP kinase p38 alpha MAPK 14 MAPK14 MAX-interacting protein 2 - SAPK2A cytokine suppressive anti-inflammatory drug-binding protein mitogen-activated protein kinase p38 alpha protein + CSBP CSBP1 CSBP2 CSPB1 MXI2 + SAPK2A PR:000003107 Category=gene. mitogen-activated protein kinase 14 @@ -163214,6 +186989,31 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human ABCC1 gene or a 1:1 ortholog thereof. + + IUPHARobj:779 + ABCC1 + ATP-binding cassette sub-family C member 1 + LTC4 transporter + glutathione-S-conjugate-translocating ATPase ABCC1 + leukotriene C(4) transporter + protein + Abcc1a + Abcc1b + MRP + MRP1 + Mdrap + PR:000003554 + Category=gene. + multidrug resistance-associated protein 1 + + + + @@ -163444,6 +187244,55 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human ATP6AP1 gene or a 1:1 ortholog thereof. + + ATP6AP1 + V-ATPase Ac45 subunit + V-ATPase S1 accessory protein + V-ATPase subunit S1 + protein C7-1 + protein XAP-3 + vacuolar proton pump subunit S1 + protein + ATP6IP1 + ATP6S1 + VATPS1 + XAP3 + PR:000004468 + Category=gene. + V-type proton ATPase subunit S1 + + + + + + + + + A protein that is a translation product of the human ATP6V1A gene or a 1:1 ortholog thereof. + + IUPHARobj:810 + ATP6V1A + V-ATPase 69 kDa subunit + V-ATPase subunit A + vacuolar ATPase isoform VA68 + vacuolar proton pump subunit alpha + protein + ATP6A1 + ATP6V1A1 + Atp6a2 + VPP2 + PR:000004480 + Category=gene. + V-type proton ATPase catalytic subunit A + + + + @@ -163662,6 +187511,51 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human BRD2 gene or a 1:1 ortholog thereof. + + IUPHARobj:1944 + BRD2 + Fsrg-1 + O27.1.1 + female sterile homeotic-related protein 1 + protein RING3 + really interesting new gene 3 protein + protein + Fsrg1 + KIAA9001 + Kiaa4005 + RING3 + PR:000004806 + Category=gene. + bromodomain-containing protein 2 + + + + + + + + + A protein that is a translation product of the human BRD4 gene or a 1:1 ortholog thereof. + + IUPHARobj:1945 + BRD4 + MCAP + mitotic chromosome-associated protein + protein HUNK1 + protein + HUNK1 + PR:000004807 + Category=gene. + bromodomain-containing protein 4 + + + + @@ -163715,7 +187609,6 @@ https://sourceforge.net/p/obi/obi-terms/738/ A protein that is a translation product of the human COQ8A gene or a 1:1 ortholog thereof. IUPHARobj:1927 - ADCK3 COQ8A aarF domain-containing protein kinase 3 atypical kinase ADCK3, mitochondrial @@ -163724,6 +187617,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ chaperone-ABC1-like coenzyme Q protein 8A protein + ADCK3 CABC1 PP265 PR:000004929 @@ -163915,12 +187809,32 @@ https://sourceforge.net/p/obi/obi-terms/738/ A protein that is a translation product of the human CAMLG gene or a 1:1 ortholog thereof. - CAML CAMLG + calcium signal-modulating cyclophilin ligand protein + CAML + GET2 PR:000004997 Category=gene. - calcium signal-modulating cyclophilin ligand + guided entry of tail-anchored proteins factor CAMLG + + + + + + + + + A protein that is a translation product of the human CANX gene or a 1:1 ortholog thereof. + + p90 + CANX + IP90 + major histocompatibility complex class I antigen-binding protein p88 + protein + PR:000005005 + Category=gene. + calnexin @@ -164086,6 +188000,26 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human CISD1 gene or a 1:1 ortholog thereof. + + CISD1 + MitoNEET + protein + C10orf70 + D10Ertd214e + MDS029 + ZCD1 + PR:000005501 + Category=gene. + CDGSH iron-sulfur domain-containing protein 1 + + + + @@ -164094,10 +188028,10 @@ https://sourceforge.net/p/obi/obi-terms/738/ IUPHARobj:1509 CIT - CRIK rho-interacting, serine/threonine-protein kinase 21 serine/threonine-protein kinase 21 protein + CRIK KIAA0949 STK21 PR:000005504 @@ -164393,6 +188327,23 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A cathepsin-like protease that is a translation product of the human CTSD gene or a 1:1 ortholog thereof. + + IUPHARobj:2345 + CTSD + protein + CPSD + PR:000006025 + Category=gene. + cathepsin D + + + + @@ -164607,6 +188558,37 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human DNMT1 gene or a 1:1 ortholog thereof. + + IUPHARobj:2605 + CXXC-type zinc finger protein 9 + DNA MTase HsaI + DNA MTase MmuI + DNA methyltransferase HsaI + DNA methyltransferase MmuI + DNMT1 + Dnmt1 + M.HsaI + M.MmuI + MCMT + met-1 + protein + AIM + CXXC9 + DNMT + Met1 + Uim + PR:000006606 + Category=gene. + DNA (cytosine-5)-methyltransferase 1 + + + + @@ -164616,13 +188598,13 @@ https://sourceforge.net/p/obi/obi-terms/738/ IUPHARobj:2009 DYRK1A HP86 - MNBH MP86 dual specificity YAK1-related kinase protein kinase minibrain homolog protein DYRK MNB + MNBH PR:000006781 Category=gene. dual specificity tyrosine-phosphorylation-regulated kinase 1A @@ -164723,7 +188705,6 @@ https://sourceforge.net/p/obi/obi-terms/738/ IUPHARobj:2016 EIF2AK2 P1/eIF-2A protein kinase - PKR eIF-2A protein kinase 2 eukaryotic translation initiation factor 2-alpha kinase 2 interferon-inducible RNA-dependent protein kinase @@ -164733,6 +188714,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ serine/threonine-protein kinase TIK tyrosine-protein kinase EIF2AK2 protein + PKR PRKR Tik PR:000006959 @@ -164861,12 +188843,12 @@ https://sourceforge.net/p/obi/obi-terms/738/ EK4 EPH-like kinase 4 EPHA3 - HEK tyrosine-protein kinase TYRO4 tyrosine-protein kinase receptor ETK1 protein ETK ETK1 + HEK TYRO4 PR:000007123 Category=gene. @@ -164955,6 +188937,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ An ephrin receptor that is a translation product of the human EPHA7 gene or a 1:1 ortholog thereof. IUPHARobj:1827 + DK-1 EBK EHK-3 EK11 @@ -164963,7 +188946,6 @@ https://sourceforge.net/p/obi/obi-terms/738/ EPHA7 developmental kinase 1 embryonic brain kinase - mDK-1 protein EHK3 HEK11 @@ -165006,11 +188988,11 @@ https://sourceforge.net/p/obi/obi-terms/738/ IUPHARobj:1830 EK6 - ELK EPH-like kinase 6 EPHB1 tyrosine-protein kinase receptor EPH-2 protein + ELK EPHT2 HEK6 NET @@ -165028,11 +189010,9 @@ https://sourceforge.net/p/obi/obi-terms/738/ An ephrin receptor that is a translation product of the human EPHB2 gene or a 1:1 ortholog thereof. IUPHARobj:1831 - DRT EK5 EPH-like kinase 5 EPHB2 - ERK Nuk receptor tyrosine kinase neural kinase renal carcinoma antigen NY-REN-47 @@ -165040,8 +189020,10 @@ https://sourceforge.net/p/obi/obi-terms/738/ tyrosine-protein kinase receptor EPH-3 tyrosine-protein kinase receptor SEK-3 protein + DRT EPHT3 EPTH3 + ERK HEK5 Nuk Sek3 @@ -165060,10 +189042,10 @@ https://sourceforge.net/p/obi/obi-terms/738/ An ephrin receptor that is a translation product of the human EPHB4 gene or a 1:1 ortholog thereof. IUPHARobj:1833 + DK-2 EPHB4 developmental kinase 2 hepatoma transmembrane kinase - mDK-2 tyrosine kinase MYK-1 tyrosine-protein kinase TYRO11 tyrosine-protein kinase receptor HTK @@ -165386,6 +189368,58 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human FKBP10 gene or a 1:1 ortholog thereof. + + rotamase + 65 kDa FK506-binding protein + 65 kDa FKBP + FK506-binding protein 10 + FKBP-10 + FKBP-65 + FKBP10 + PPIase FKBP10 + immunophilin FKBP65 + protein + FKBP65 + Fkbp-rs + Fkbp1-rs + Fkbp6 + Fkbprp + PSEC0056 + PR:000007532 + Category=gene. + peptidyl-prolyl cis-trans isomerase FKBP10 + + + + + + + + + A protein that is a translation product of the human FKBP15 gene or a 1:1 ortholog thereof. + + 133 kDa FK506-binding protein + 133 kDa FKBP + FKBP-133 + FKBP-15 + FKBP15 + WAFL + WASP and FKBP-like + protein + Fkbp133 + KIAA0674 + PR:000007535 + Category=gene. + FK506-binding protein 15 + + + + @@ -165413,6 +189447,30 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human FKBP7 gene or a 1:1 ortholog thereof. + + rotamase + 23 kDa FK506-binding protein + 23 kDa FKBP + FK506-binding protein 7 + FKBP-23 + FKBP-7 + FKBP7 + PPIase FKBP7 + protein + FKBP23 + UNQ670/PRO1304 + PR:000007543 + Category=gene. + peptidyl-prolyl cis-trans isomerase FKBP7 + + + + @@ -165622,11 +189680,11 @@ https://sourceforge.net/p/obi/obi-terms/738/ GluN2B N-methyl D-aspartate receptor subtype 2B N-methyl-D-aspartate receptor subunit 3 - NMDAR2B NR2B NR3 glutamate [NMDA] receptor subunit epsilon-2 protein + NMDAR2B PR:000008247 Category=gene. glutamate receptor ionotropic, NMDA 2B @@ -165725,11 +189783,11 @@ https://sourceforge.net/p/obi/obi-terms/738/ alpha-globin hemoglobin alpha chain - HBA2 HBA[1/2] hemoglobin subunit alpha-2 protein HBA1 + HBA2 PR:000008456 Category=gene. Note: The human HBA1 and HBA2 genes encode identical proteins. hemoglobin subunit alpha @@ -165777,6 +189835,25 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human HDAC2 gene or a 1:1 ortholog thereof. + + IUPHARobj:2616 + HD2 + HDAC2 + YY1 transcription factor-binding protein + protein + Yy1bp + PR:000008481 + Category=gene. + histone deacetylase 2 + + + + @@ -165841,6 +189918,23 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human HMGCR gene or a 1:1 ortholog thereof. + + IUPHARobj:639 + HMG-CoA reductase + HMGCR + protein + PR:000008636 + Category=gene. + 3-hydroxy-3-methylglutaryl-coenzyme A reductase + + + + @@ -165899,6 +189993,34 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + An HSPC protein that is a translation product of the human HSP90B1 gene or a 1:1 ortholog thereof. + + IUPHARobj:2904 + 94 kDa glucose-regulated protein + ERp99 + GRP-94 + HSP90B1 + endoplasmic reticulum resident protein 99 + gp96 homolog + heat shock protein 90 kDa beta member 1 + polymorphic tumor rejection antigen 1 + tumor rejection antigen 1 + tumor rejection antigen gp96 + protein + GRP94 + TRA1 + Tra-1 + PR:000008801 + Category=gene. + endoplasmin + + + + @@ -166109,8 +190231,8 @@ https://sourceforge.net/p/obi/obi-terms/738/ IUPHARobj:1802 INSRR IR-related receptor - IRR protein + IRR PR:000009065 Category=gene. insulin receptor-related protein @@ -166183,14 +190305,14 @@ https://sourceforge.net/p/obi/obi-terms/738/ A protein that is a translation product of the human KLK1 gene or a 1:1 ortholog thereof. IUPHARobj:2865 + GK-6 KAL-B KLK1 kidney/pancreas/salivary gland kallikrein - mGK-6 - renal kallikrein tissue kallikrein tissue kallikrein-6 glandular kallikrein K1 + renal kallikrein protein Klk-6 Klk6 @@ -166221,6 +190343,24 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human LARP1 gene or a 1:1 ortholog thereof. + + LARP1 + La ribonucleoprotein domain family member 1 + protein + KIAA0731 + LARP + PR:000009668 + Category=gene. + La-related protein 1 + + + + @@ -166471,10 +190611,10 @@ https://sourceforge.net/p/obi/obi-terms/738/ MAP3K12 MAPK-upstream kinase MUK - ZPK dual leucine zipper bearing kinase leucine-zipper protein kinase protein + ZPK PR:000010131 Category=gene. mitogen-activated protein kinase kinase kinase 12 @@ -167229,7 +191369,6 @@ https://sourceforge.net/p/obi/obi-terms/738/ MAP3K20 MLK-like mitogen-activated protein triple kinase MLK-related kinase - ZAK cervical cancer suppressor gene 4 protein leucine zipper- and sterile alpha motif kinase ZAK leucine zipper- and sterile alpha motif-containing kinase @@ -167240,6 +191379,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ HCCS4 MLTK MRK + ZAK PR:000010457 Category=gene. mitogen-activated protein kinase kinase kinase 20 @@ -167247,6 +191387,25 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human MTG1 gene or a 1:1 ortholog thereof. + + MTG1 + mitochondrial GTPase 1 + protein + GTP-binding protein 7 + GTPBP7 + Gm169 + PR:000010721 + Category=gene. + mitochondrial ribosome-associated GTPase 1 + + + + @@ -167275,12 +191434,12 @@ https://sourceforge.net/p/obi/obi-terms/738/ IUPHARobj:1552 KRP - MLCK MYLK kinase-related protein smMLCK telokin protein + MLCK MLCK1 MYLK1 PR:000010845 @@ -167323,6 +191482,23 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human NDUFS1 gene or a 1:1 ortholog thereof. + + CI-75kD + NDUFS1 + complex I-75kD + protein + PR:000011096 + Category=gene. + NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial + + + + @@ -167769,11 +191945,11 @@ https://sourceforge.net/p/obi/obi-terms/738/ IUPHARobj:2130 NUAK2 - SNARK SNF1/AMP kinase-related kinase omphalocele kinase 2 protein OMPHK2 + SNARK PR:000011474 Category=gene. NUAK family SNF1-like kinase 2 @@ -167781,6 +191957,33 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human SIGMAR1 gene or a 1:1 ortholog thereof. + + IUPHARobj:2552 + SIG-1R + SIGMAR1 + SR-BP + SR31747-binding protein + SigmaR1 + aging-associated gene 8 protein + sigma 1-type opioid receptor + sigma1-receptor + sigma1R + protein + AAG8 + OPRS1 + SRBP + PR:000011650 + Category=gene. + sigma non-opioid intracellular receptor 1 + + + + @@ -168440,6 +192643,42 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human PLOD1 gene or a 1:1 ortholog thereof. + + LH1 + PLOD1 + lysyl hydroxylase 1 + protein + LLH + PLOD + PR:000012876 + Category=gene. + procollagen-lysine,2-oxoglutarate 5-dioxygenase 1 + + + + + + + + + A protein that is a translation product of the human PLOD2 gene or a 1:1 ortholog thereof. + + LH2 + PLOD2 + lysyl hydroxylase 2 + protein + PR:000012877 + Category=gene. + procollagen-lysine,2-oxoglutarate 5-dioxygenase 2 + + + + @@ -168607,13 +192846,13 @@ https://sourceforge.net/p/obi/obi-terms/738/ A protein that is a translation product of the human PPP3R2 gene or a 1:1 ortholog thereof. calcineurin B-like protein - CBLP CNBII PPP3R2 calcineurin BII protein phosphatase 2B regulatory subunit 2 protein phosphatase 3 regulatory subunit B beta isoform protein + CBLP PPP3RL PR:000013151 Category=gene. @@ -168836,6 +193075,29 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human PTGES2 gene or a 1:1 ortholog thereof. + + IUPHARobj:1378 + GATE-binding factor 1 + GBF-1 + PTGES2 + mPGES-2 + microsomal prostaglandin E synthase 2 + protein + C9orf15 + Gbf1 + PGES2 + PR:000013422 + Category=gene. + prostaglandin E synthase 2 + + + + @@ -169273,6 +193535,21 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human RPL27 gene or a 1:1 ortholog thereof. + + RPL27 + protein + PR:000014208 + Category=gene. + 60S ribosomal protein L27 + + + + @@ -169447,6 +193724,28 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human SAFB gene or a 1:1 ortholog thereof. + + HSP27 ERE-TATA-binding protein + HSP27 estrogen response element-TATA box-binding protein + SAF-B + SAF-B1 + SAFB + protein + HAP + HET + SAFB1 + PR:000014432 + Category=gene. + scaffold attachment factor B1 + + + + @@ -169493,11 +193792,11 @@ https://sourceforge.net/p/obi/obi-terms/738/ A serpin that is a translation product of the human SERPINA6 gene or a 1:1 ortholog thereof. - CBG SERPINA6 serpin A6 transcortin protein + CBG PR:000014686 Category=gene. corticosteroid-binding globulin @@ -169661,6 +193960,30 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human SLC6A15 gene or a 1:1 ortholog thereof. + + IUPHARobj:940 + SLC6A15 + orphan sodium- and chloride-dependent neurotransmitter transporter NTT73 + orphan transporter v7-3 + sodium- and chloride-dependent neurotransmitter transporter NTT73 + solute carrier family 6 member 15 + transporter v7-3 + protein + B0AT2 + NTT73 + SBAT1 + PR:000015181 + Category=gene. + sodium-dependent neutral amino acid transporter B(0)AT2 + + + + @@ -169920,8 +194243,8 @@ https://sourceforge.net/p/obi/obi-terms/738/ IUPHARobj:1537 STK32A - YANK1 protein + YANK1 PR:000015748 Category=gene. serine/threonine-protein kinase 32A @@ -170509,6 +194832,24 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human VCP gene or a 1:1 ortholog thereof. + + 15S Mg(2+)-ATPase p97 subunit + TER ATPase + VCP + valosin-containing protein + protein + PR:000017273 + Category=gene. + transitional endoplasmic reticulum ATPase + + + + @@ -170788,6 +195129,21 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + An Hsp70 family chaperone that contains an ATPase and HSP90 domains. + + HSP90 + protein + PR:000025350 + Category=family. + HSPC protein + + + + @@ -171044,11 +195400,11 @@ https://sourceforge.net/p/obi/obi-terms/738/ A protein that is a translation product of the human COQ8B gene or a 1:1 ortholog thereof. IUPHARobj:1928 - ADCK4 AarF domain-containing protein kinase 4 COQ8B coenzyme Q protein 8B protein + ADCK4 PR:000029090 Category=gene. atypical kinase COQ8B, mitochondrial @@ -171143,11 +195499,11 @@ https://sourceforge.net/p/obi/obi-terms/738/ IUPHARobj:2290 SBK3 - SGK110 SH3-binding domain kinase family member 3 sugen kinase 110 uncharacterized serine/threonine-protein kinase SgK110 protein + SGK110 PR:000029138 Category=gene. uncharacterized serine/threonine-protein kinase SBK3 @@ -171357,6 +195713,28 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + A protein that is a translation product of the human TMEM97 gene or a 1:1 ortholog thereof. + + IUPHARobj:2553 + TMEM97 + protein MAC30 + sigma-2 receptor + sigma2 receptor + transmembrane protein 97 + protein + MAC30 + S2R + PR:000032038 + Category=gene. + sigma intracellular receptor 2 + + + + @@ -172170,7 +196548,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ - An influenzavirus M gene translation product that is a translation product of some mRNA giving rise to a protein with the amino acid sequence represented by UniProtKB:P06821 or a 1:1 ortholog thereof. + An influenzavirus M gene translation product that is a translation product of some mRNA whose exon structure and start site selection renders it capable of giving rise to a protein with the amino acid sequence represented by UniProtKB:P06821 or a 1:1 ortholog thereof. flu-M/iso:M2 influenza M2 @@ -172197,6 +196575,15 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + + + + + @@ -172209,6 +196596,9 @@ https://sourceforge.net/p/obi/obi-terms/738/ CaM (human) hCALM + CALM1 + CALM2 + CALM3 protein PR:000049859 Category=organism-family. Note: The CALM1, CALM2, and CALM3 genes encode identical proteins. @@ -172362,7 +196752,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ - + @@ -172820,7 +197210,15 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + + A rep gene proteolytic cleavage product (SARS-CoV-2) that is the central portion produced by the autocatalytic action of 3CL-PRO proteinase (nsp5) when it cleaves the precursor rep gene translation product (SARS-CoV-2) between residues 3263-3264 and 3569-3570. + Reference: PMID: 11742974 + Reference: PMID: 17868033 GenPept:YP_009725301 GenPept:YP_009742612 @@ -172852,7 +197250,49 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + + + + + + + + + + + + + + + + + + + + A rep gene proteolytic cleavage product (SARS-CoV-2) that is the central portion produced by the enzymatic action of 3CL-PRO proteinase (nsp5) when it cleaves the precursor rep gene translation product (SARS-CoV-2) between residues 3569-3570 and 3859-3860. + Reference: PMID: 12213263 + Reference: PMID: 14978511 + Reference: PMID: 16891467 + Reference: PMID: 17328523 + Reference: PMID: 17689532 + Reference: PMID: 21084640 + Reference: PMID: 22711801 + Reference: PMID: 22784008 + Reference: PMID: 25318072 + Reference: PMID: 25592299 + Reference: PMID: 26004528 + Reference: PMID: 31170174 + Reference: PMID: 32496241 + Reference: PMID: 33364957 + Reference: PMID: 33403480 + Reference: PMID: 3768695 + Reference: PMID: 9144641 + Reference: PMID: 9572882 GenPept:YP_009725302 GenPept:YP_009742613 @@ -172880,7 +197320,21 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + + + + + + + + A rep gene proteolytic cleavage product (SARS-CoV-2) that is the central portion produced by the enzymatic action of 3CL-PRO proteinase (nsp5) when it cleaves the precursor rep gene translation product (SARS-CoV-2) between residues 3859-3860 and 3942-3943. + Reference: PMID: 24843020 + Reference: PMID: 5284360 GenPept:YP_009725303 GenPept:YP_009742614 @@ -173137,7 +197591,14 @@ https://sourceforge.net/p/obi/obi-terms/738/ - An ORF1ab proteolytic cleavage product (SARS-CoV-2) that is the central portion produced by the enzymatic action of 3CL-PRO proteinase (nsp5) when it cleaves the precursor replicase polyprotein 1ab (SARS-CoV-2) between residues 4392-4393 and 5324-5325. + + + + + + + An ORF1ab proteolytic cleavage product (SARS-CoV-2) that is the central portion produced by the enzymatic action of 3CL-PRO proteinase (nsp5) when it cleaves the precursor replicase polyprotein 1ab (SARS-CoV-2) between residues 4392-4393 and 5324-5325. UniProtKB:P0DTD1, 4393-5324. + Reference: PMID: 25801024 GenPept:YP_009725307 ORF1ab/Clv:nsp12 (SARS2) @@ -173164,7 +197625,14 @@ https://sourceforge.net/p/obi/obi-terms/738/ - An ORF1ab proteolytic cleavage product (SARS-CoV-2) that is the central portion produced by the enzymatic action of 3CL-PRO proteinase (nsp5) when it cleaves the precursor replicase polyprotein 1ab (SARS-CoV-2) between residues 5324-5325 and 5925-5926. + + + + + + + An ORF1ab proteolytic cleavage product (SARS-CoV-2) that is the central portion produced by the enzymatic action of 3CL-PRO proteinase (nsp5) when it cleaves the precursor replicase polyprotein 1ab (SARS-CoV-2) between residues 5324-5325 and 5925-5926. UniProtKB:P0DTD1, 4393-5324. + Reference: PMID: 2156866 GenPept:YP_009725308 Hel (SARS-CoV-2) @@ -173190,7 +197658,16 @@ https://sourceforge.net/p/obi/obi-terms/738/ - An ORF1ab proteolytic cleavage product (SARS-CoV-2) that is the central portion produced by the enzymatic action of 3CL-PRO proteinase (nsp5) when it cleaves the precursor replicase polyprotein 1ab (SARS-CoV-2) between residues 5925-5926 and 6452-6453. + + + + + + + An ORF1ab proteolytic cleavage product (SARS-CoV-2) that is the central portion produced by the enzymatic action of 3CL-PRO proteinase (nsp5) when it cleaves the precursor replicase polyprotein 1ab (SARS-CoV-2) between residues 5925-5926 and 6452-6453. UniProtKB:P0DTD1, 4393-5324. + Reference: PMID: 10878288 + Reference: PMID: 22555152 + Reference: PMID: 5799033 GenPept:YP_009725309 ExoN (SARS-CoV-2) @@ -173218,7 +197695,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ - An ORF1ab proteolytic cleavage product (SARS-CoV-2) that is the central portion produced by the enzymatic action of 3CL-PRO proteinase (nsp5) when it cleaves the precursor replicase polyprotein 1ab (SARS-CoV-2) between residues 6452-6453 and 6798-6799. + An ORF1ab proteolytic cleavage product (SARS-CoV-2) that is the central portion produced by the enzymatic action of 3CL-PRO proteinase (nsp5) when it cleaves the precursor replicase polyprotein 1ab (SARS-CoV-2) between residues 6452-6453 and 6798-6799. UniProtKB:P0DTD1, 6453-6798. GenPept:YP_009725310 NendoU (SARS-CoV-2) @@ -173245,7 +197722,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ - An ORF1ab proteolytic cleavage product (SARS-CoV-2) that is the C-terminal portion produced by the enzymatic action of 3CL-PRO proteinase (nsp5) when it cleaves the precursor replicase polyprotein 1ab (SARS-CoV-2) between residues 6798-6799. + An ORF1ab proteolytic cleavage product (SARS-CoV-2) that is the C-terminal portion produced by the enzymatic action of 3CL-PRO proteinase (nsp5) when it cleaves the precursor replicase polyprotein 1ab (SARS-CoV-2) between residues 6798-6799. UniProtKB:P0DTD1, 6453-6798. GenPept:YP_009725311 2'-O-ribose methyltransferase (SARS-CoV-2) @@ -173412,6 +197889,12 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + + @@ -173419,6 +197902,9 @@ https://sourceforge.net/p/obi/obi-terms/738/ A protein that is a translation product of the ORF10 gene in SARS-CoV-2. + Reference: PMID: 21383145 + Reference: PMID: 23316025 + Reference: PMID: 26565666 GenPept:YP_009725255 UniProtKB:A0A663DJA2 @@ -181286,12 +205772,106 @@ https://sourceforge.net/p/obi/obi-terms/738/ CAM1 CAMA PR:P0DP23 - Category=organism-gene. Note: The CALM1, CALM2, and CALM3 genes encode identical proteins. + Category=organism-gene. Note: The proteins encoded by CALM1 (this class), CALM2 (PR:P0DP24), and CALM3 (PR:P0DP25) are identical. calmodulin-1 (human) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A calmodulin (human) that is a translation product of the CALM2 gene. + + UniProtKB:P0DP24 + hCALM2 + protein + CALM2 + CAM2 + CAMB + PR:P0DP24 + Category=organism-gene. Note: The proteins encoded by CALM1 (PR:P0DP23), CALM2 (this class), and CALM3 (PR:P0DP25) are identical. + calmodulin-2 (human) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A calmodulin (human) that is a translation product of the CALM3 gene. + + UniProtKB:P0DP25 + hCALM3 + protein + CALM3 + CALML2 + CAM3 + CAMC + CAMIII + PR:P0DP25 + Category=organism-gene. Note: The proteins encoded by CALM1 (PR:P0DP23), CALM2 (PR:P0DP24), and CALM3 (this class) are identical. + calmodulin-3 (human) + + + + @@ -181302,7 +205882,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ - A rep gene translation product (SARS-CoV-2) that is a translation product of some mRNA giving rise to a protein with the amino acid sequence represented by UniProtKB:P0DTC1-1. + A rep gene translation product (SARS-CoV-2) that is a translation product of some mRNA whose exon structure and start site selection renders it capable of giving rise to a protein with the amino acid sequence represented by UniProtKB:P0DTC1-1. PR:P0DTC1 GenPept:YP_009725295 @@ -181477,6 +206057,18 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + + + + + + + + @@ -181484,6 +206076,11 @@ https://sourceforge.net/p/obi/obi-terms/738/ A protein that is a translation product of the E gene in SARS-CoV-2. + Reference: PMID: 24391744 + Reference: PMID: 26035625 + Reference: PMID: 26815195 + Reference: PMID: 29764999 + Reference: PMID: 31969702 GenPept:YP_009724392 UniProtKB:P0DTC4 @@ -181528,6 +206125,12 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + + @@ -181535,6 +206138,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ A protein that is a translation product of the M gene in SARS-CoV-2. + Reference: PMID: 9572882 GenPept:YP_009724393 UniProtKB:P0DTC5 @@ -181681,6 +206285,24 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + + + + + + + + + + + + + + @@ -181688,6 +206310,8 @@ https://sourceforge.net/p/obi/obi-terms/738/ A protein that is a translation product of the ORF8 gene in SARS-CoV-2. + Reference: PMID: 22560567 + Reference: PMID: 30481795 GenPept:YP_009724396 UniProtKB:P0DTC8 @@ -181735,7 +206359,23 @@ https://sourceforge.net/p/obi/obi-terms/738/ - An N gene translation product (SARS-CoV-2) that is a translation product of some mRNA giving rise to a protein with the amino acid sequence represented by UniProtKB:P0DTC9-1. + + + + + + + + + + + + + An N gene translation product (SARS-CoV-2) that is a translation product of some mRNA whose exon structure and start site selection renders it capable of giving rise to a protein with the amino acid sequence represented by UniProtKB:P0DTC9-1. + Reference: PMID: 15896331 + Reference: PMID: 21159648 + Reference: PMID: 21651476 + Reference: PMID: 29722158 PR:P0DTC9 GenPept:YP_009724397 @@ -181763,11 +206403,11 @@ https://sourceforge.net/p/obi/obi-terms/738/ - A rep gene translation product (SARS-CoV-2) that is a translation product of some mRNA giving rise to a protein with the amino acid sequence represented by UniProtKB:P0DTD1-1. Requires ribosomal frameshifting. + A rep gene translation product (SARS-CoV-2) that is a translation product of some mRNA whose exon structure and start site selection renders it capable of giving rise to a protein with the amino acid sequence represented by UniProtKB:P0DTD1-1. Requires ribosomal frameshifting. PR:P0DTD1 GenPept:YP_009724389 - UniProtKB:P0DTD1 + UniProtKB:P0DTD1-1 ORF1ab polyprotein (SARS-CoV-2) PRO_0000449618 pp1ab (SARS-CoV-2) @@ -181790,7 +206430,22 @@ https://sourceforge.net/p/obi/obi-terms/738/ + + + + + + + + + + + + A protein that is a translation product of the ORF9b reading frame of the N gene in SARS-CoV-2. + Reference: PMID: 18183025 + Reference: PMID: 22037378 + Reference: PMID: 32368441 UniProtKB:P0DTD2 ORF-9b (SARS-CoV-2) @@ -181817,7 +206472,54 @@ https://sourceforge.net/p/obi/obi-terms/738/ - An N gene translation product (SARS-CoV-2) that is a translation product of some mRNA giving rise to a protein with the amino acid sequence represented by UniProtKB:P0DTD3-1. + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + An N gene translation product (SARS-CoV-2) that is a translation product of some mRNA whose exon structure and start site selection renders it capable of giving rise to a protein with the amino acid sequence represented by UniProtKB:P0DTD3-1. + Reference: PMID: 12213263 + Reference: PMID: 14978511 + Reference: PMID: 16891467 + Reference: PMID: 17646169 + Reference: PMID: 18720984 + Reference: PMID: 21084640 + Reference: PMID: 22711801 + Reference: PMID: 24843020 + Reference: PMID: 25592299 + Reference: PMID: 26004528 + Reference: PMID: 28445455 + Reference: PMID: 31170174 + Reference: PMID: 32496241 + Reference: PMID: 33364957 + Reference: PMID: 33403480 + Reference: PMID: 3768695 + Reference: PMID: 9647783 PR:P0DTD3 UniProtKB:P0DTD3-1 @@ -182905,10 +207607,12 @@ https://sourceforge.net/p/obi/obi-terms/738/ UniProtKB:P12268 IMP dehydrogenase 2 (human) + IMP dehydrogenase II (human) IMPD 2 (human) IMPDH 2 (human) IMPDH-II (human) hIMPDH2 + inosine-5'-monophosphate dehydrogenase type II (human) protein IMPD2 IMPDH2 @@ -190882,17 +215586,19 @@ https://sourceforge.net/p/obi/obi-terms/738/ - A calcium signal-modulating cyclophilin ligand that is encoded in the genome of human. + A guided entry of tail-anchored proteins factor CAMLG that is encoded in the genome of human. Reactome:R-HSA-9609522 UniProtKB:P49069 + calcium signal-modulating cyclophilin ligand (human) hCAMLG protein CAML CAMLG + GET2 PR:P49069 Category=organism-gene. - calcium signal-modulating cyclophilin ligand (human) + guided entry of tail-anchored proteins factor CAMLG (human) @@ -194690,6 +219396,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ nPKC-delta (human) tyrosine-protein kinase PRKCD (human) protein + PKCD PRKCD PR:Q05655 Category=organism-gene. @@ -197787,7 +222494,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ - An AP2-associated protein kinase 1 (human) that is a translation product of some mRNA giving rise to a protein with the amino acid sequence represented by UniProtKB:Q2M2I8-1. + An AP2-associated protein kinase 1 (human) that is a translation product of some mRNA whose exon structure and start site selection renders it capable of giving rise to a protein with the amino acid sequence represented by UniProtKB:Q2M2I8-1. UniProtKB:Q2M2I8-1 AP2-associated protein kinase 1 isoform AAK1L (human) @@ -197810,7 +222517,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ - An AP2-associated protein kinase 1 (human) that is a translation product of some mRNA giving rise to a protein with the amino acid sequence represented by UniProtKB:Q2M2I8-2. + An AP2-associated protein kinase 1 (human) that is a translation product of some mRNA whose exon structure and start site selection renders it capable of giving rise to a protein with the amino acid sequence represented by UniProtKB:Q2M2I8-2. UniProtKB:Q2M2I8-2 AP2-associated protein kinase 1 isoform AAK1S (human) @@ -203368,6 +228075,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ IRAK-3 (human) IRAK-M (human) hIRAK3 + inactive IL-1 receptor-associated kinase 3 (human) protein IRAK3 PR:Q9Y616 @@ -203536,6 +228244,7 @@ https://sourceforge.net/p/obi/obi-terms/738/ protein-coding sequence SO:0000010 + Category=external. protein_coding @@ -208201,6 +232910,12 @@ Artificial active immunization is where the microbe, or parts of it, are injecte + + + + + + @@ -210366,6 +235081,12 @@ Artificial active immunization is where the microbe, or parts of it, are injecte + + + + + + @@ -210406,6 +235127,7 @@ Artificial active immunization is where the microbe, or parts of it, are injecte Anthony Huffman, Philip Huang, Oliver He Ad26COVS1 JNJ-78436735 + Janssen vaccine Johnson & Johnson COVID-19 vaccine PubMed:32731257 http://www.violinet.org/cov19vaxkb/authorizedcov19vax.php @@ -213027,6 +237749,12 @@ Artificial active immunization is where the microbe, or parts of it, are injecte + + + + + + @@ -214947,6 +239675,46 @@ Artificial active immunization is where the microbe, or parts of it, are injecte + + + + + + + + + + + A protein coding gene CALM2 in human. + + gene + HGNC:1445 + Category=external. + CALM2 (human) + + + + + + + + + + + + + + + A protein coding gene CALM3 in human. + + gene + HGNC:1449 + Category=external. + CALM3 (human) + + + + @@ -226170,430 +250938,430 @@ This interpretation is *not* the same as an at-all-times relation 2021-04-06 - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -226605,334 +251373,352 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + + + + + + + + + + + + + + + + + + + @@ -226959,13 +251745,10 @@ This interpretation is *not* the same as an at-all-times relation - - - - + - + @@ -226977,13 +251760,13 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + @@ -227031,139 +251814,139 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -227193,7 +251976,7 @@ This interpretation is *not* the same as an at-all-times relation - + @@ -227208,13 +251991,13 @@ This interpretation is *not* the same as an at-all-times relation - + - + @@ -227241,10 +252024,10 @@ This interpretation is *not* the same as an at-all-times relation - + - + @@ -227253,226 +252036,226 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -227487,7 +252270,7 @@ This interpretation is *not* the same as an at-all-times relation - + @@ -227508,22 +252291,22 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + @@ -227532,25 +252315,25 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + - + - + @@ -227565,166 +252348,166 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -227733,22 +252516,22 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + @@ -227760,7 +252543,7 @@ This interpretation is *not* the same as an at-all-times relation - + @@ -227775,49 +252558,49 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -227829,7 +252612,7 @@ This interpretation is *not* the same as an at-all-times relation - + @@ -227841,10 +252624,10 @@ This interpretation is *not* the same as an at-all-times relation - + - + @@ -227853,49 +252636,49 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -227904,16 +252687,16 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + @@ -227958,13 +252741,13 @@ This interpretation is *not* the same as an at-all-times relation - + - + @@ -228057,28 +252840,28 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + - + - + @@ -228093,13 +252876,13 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + @@ -228141,7 +252924,7 @@ This interpretation is *not* the same as an at-all-times relation - + @@ -228177,7 +252960,7 @@ This interpretation is *not* the same as an at-all-times relation - + @@ -228210,7 +252993,7 @@ This interpretation is *not* the same as an at-all-times relation - + @@ -228222,37 +253005,37 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + - + - + - + - + - + - + @@ -228264,7 +253047,7 @@ This interpretation is *not* the same as an at-all-times relation - + @@ -228273,46 +253056,46 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -228321,22 +253104,22 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + @@ -228414,13 +253197,13 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + @@ -228429,22 +253212,34 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + - + + + + + + + + + + + + + @@ -228500,9 +253295,6 @@ This interpretation is *not* the same as an at-all-times relation - - - @@ -228515,9 +253307,6 @@ This interpretation is *not* the same as an at-all-times relation - - - @@ -228555,235 +253344,226 @@ This interpretation is *not* the same as an at-all-times relation - - - - - - - - - - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -228795,34 +253575,34 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + - + - + - + - + - + @@ -228834,85 +253614,85 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -228927,16 +253707,16 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + @@ -228948,16 +253728,16 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + @@ -228972,13 +253752,13 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + @@ -228993,10 +253773,10 @@ This interpretation is *not* the same as an at-all-times relation - + - + @@ -229095,94 +253875,94 @@ This interpretation is *not* the same as an at-all-times relation - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -229196,8 +253976,8 @@ This interpretation is *not* the same as an at-all-times relation --> - NDF-RT2 Public NDF-RT2 [Public Edition] + NDF-RT2 Public @@ -229246,8 +254026,8 @@ This interpretation is *not* the same as an at-all-times relation C142 - MeSH_Definition + MeSH_Definition C287 @@ -229257,10 +254037,10 @@ This interpretation is *not* the same as an at-all-times relation 3683 N0000000001 - C0013227 - C176 + C0013227 Pharmaceutical Preparations + C176 Pharmaceutical Preparations @@ -229273,11 +254053,11 @@ This interpretation is *not* the same as an at-all-times relation C180 - Clinical Kinetics [PK] C1373163 + Clinical Kinetics [PK] 1030853 - N0000000003 Clinical Kinetics + N0000000003 @@ -229292,8 +254072,8 @@ This interpretation is *not* the same as an at-all-times relation 988640 - Intestinal Metabolism [PK] Intestinal Metabolism + Intestinal Metabolism [PK] N0000000025 C228 C1373177 @@ -229301,8 +254081,8 @@ This interpretation is *not* the same as an at-all-times relation Hepatic Metabolism Hepatic Metabolism [PK] - C230 + C230 C1373178 984512 N0000000026 @@ -229331,8 +254111,8 @@ This interpretation is *not* the same as an at-all-times relation Alpha-adrenergic Blocker C2756989 - Adrenergic alpha-Antagonists [MoA] N0000000099 + Adrenergic alpha-Antagonists [MoA] Adrenergic alpha-Antagonists C376 1023426 @@ -229344,8 +254124,8 @@ This interpretation is *not* the same as an at-all-times relation N0000000102 Norepinephrine Uptake Inhibitors [MoA] Adrenergic Uptake Inhibitors - D018759 + C2757023 @@ -229374,8 +254154,8 @@ This interpretation is *not* the same as an at-all-times relation Monoamine Oxidase Inhibitors [MoA] Monoamine Oxidase Inhibitors MAOI - N0000000184 + Monoamine Oxidase Inhibitors D008996 992698 @@ -229393,8 +254173,8 @@ This interpretation is *not* the same as an at-all-times relation Dopamine Receptor Interactions [MoA] - N0000000203 C1373039 + N0000000203 985948 Dopamine Receptor Interactions @@ -229411,8 +254191,8 @@ This interpretation is *not* the same as an at-all-times relation C2757009 - 993166 N0000000233 + 993166 Nucleic Acid Synthesis Inhibitors Nucleic Acid Synthesis Inhibitors C644 @@ -229440,21 +254220,21 @@ This interpretation is *not* the same as an at-all-times relation Congenital Abnormalities Malformations of organs or body parts during development in utero. Congenital Abnormalities - 1021840 M0000013 + 1021840 276655000 276654001 Abnormalities, Congenital Congenital Abnormalities [Disease/Finding] - D000013 + Defects, Congenital + C714 Abortion, Spontaneous [Disease/Finding] - Spontaneous Abortion Miscarriage - C714 + Spontaneous Abortion 17369002 Abortion, Spontaneous M0000024 @@ -229478,20 +254258,20 @@ This interpretation is *not* the same as an at-all-times relation 1024380 A chronic disorder of the pilosebaceous apparatus associated with an increase in sebum secretion. It is characterized by open comedones (blackheads), closed comedones (whiteheads), and pustular nodules. The cause is unknown, but heredity and age are predisposing factors. D000152 - N0000000288 Acne Vulgaris + N0000000288 Acne 62479008 An acquired defect of cellular immunity associated with infection by the human immunodeficiency virus (HIV), a CD4-positive T-lymphocyte count under 200 cells/microliter or less than 14% of total lymphocytes, and increased susceptibility to opportunistic infections and malignant neoplasms. Clinical manifestations also include emaciation (wasting) and dementia. These elements reflect criteria for AIDS as defined by the CDC in 1993. - C760 Immunodeficiency Syndrome, Acquired Acquired Immune Deficiency Syndrome + C760 Immunologic Deficiency Syndrome, Acquired - Acquired Immuno-Deficiency Syndrome D000163 + Acquired Immuno-Deficiency Syndrome Acquired Immunodeficiency Syndrome [Disease/Finding] N0000000291 AIDS @@ -229507,8 +254287,8 @@ This interpretation is *not* the same as an at-all-times relation N0000000365 105637008 Infection with any of various amebae. It is an asymptomatic carrier state in most individuals, but diseases ranging from chronic, mild diarrhea to fulminant dysentery may occur. - D000562 + D000562 Amebiasis 388759003 Amoebiasis @@ -229525,8 +254305,8 @@ This interpretation is *not* the same as an at-all-times relation C0002453 14302001 D000568 - C914 Amenorrhea + C914 Amenorrhea Amenorrhea [Disease/Finding] Absence of menstruation. @@ -229542,9 +254322,9 @@ This interpretation is *not* the same as an at-all-times relation N0000000375 Amyloidosis [Disease/Finding] D000686 - - C0002726 C928 + C0002726 + C0002871 @@ -229563,17 +254343,17 @@ This interpretation is *not* the same as an at-all-times relation C1048 - 1023219 Anxiety Disorders [Disease/Finding] + 1023219 Anxiety Disorders - Anxiety Disorders Persistent and disabling ANXIETY. + Anxiety Disorders M0001533 197480006 N0000000435 - C0003469 D001008 + C0003469 Arrythmia @@ -229585,13 +254365,13 @@ This interpretation is *not* the same as an at-all-times relation M0001715 Cardiac Arrhythmia Any disturbances of the normal rhythmic beating of the heart or MYOCARDIAL CONTRACTION. Cardiac arrhythmias can be classified by the abnormalities in HEART RATE, disorders of electrical impulse generation, or impulse conduction. - N0000000469 Cardiac Dysrhythmia + N0000000469 - D001145 Arrhythmias, Cardiac [Disease/Finding] 195107004 1023395 + D001145 Arrhythmia @@ -229625,15 +254405,15 @@ This interpretation is *not* the same as an at-all-times relation M0001785 - D001196 - Infection by nematodes of the genus ASCARIS. Ingestion of infective eggs causes diarrhea and pneumonitis. Its distribution is more prevalent in areas of poor sanitation and where human feces are used for fertilizer. Ascariasis [Disease/Finding] - C0003950 + Infection by nematodes of the genus ASCARIS. Ingestion of infective eggs causes diarrhea and pneumonitis. Its distribution is more prevalent in areas of poor sanitation and where human feces are used for fertilizer. + D001196 Ascariasis + C0003950 N0000000488 2435008 - C1154 Ascariasis + C1154 1022405 @@ -229644,8 +254424,8 @@ This interpretation is *not* the same as an at-all-times relation C1192 49436004 Atrial Fibrillation - N0000000507 D001281 + N0000000507 M0001926 1023706 @@ -229661,8 +254441,8 @@ This interpretation is *not* the same as an at-all-times relation N0000000508 D001282 C1194 - Atrial Flutter Atrial Flutter + Atrial Flutter 985206 M0001927 @@ -229670,8 +254450,8 @@ This interpretation is *not* the same as an at-all-times relation M0001989 N0000000514 C0004364 - Autoimmune Diseases D001327 + Autoimmune Diseases Disorders that are characterized by the production of antibodies that react with host tissues or immune effector cells that are autoreactive to endogenous peptides. C1206 Autoimmune Diseases [Disease/Finding] @@ -229691,11 +254471,11 @@ This interpretation is *not* the same as an at-all-times relation C0004623 M0002126 Bacterial Infections - Infections, Bacterial 87628006 + Infections, Bacterial C1226 - N0000000524 + N0000000524 Infections by bacteria, general or unspecified. Bacterial Infections [Disease/Finding] @@ -229710,8 +254490,8 @@ This interpretation is *not* the same as an at-all-times relation M0002289 1022308 - 74732009 Mental Disorders + 74732009 M0002634 @@ -229723,16 +254503,16 @@ This interpretation is *not* the same as an at-all-times relation Urinary Bladder Neck Obstruction C0005694 C1304 - Bladder Neck Obstruction - 1023806 + Bladder Neck Obstruction N0000000563 + 1023806 Urinary Bladder Neck Obstruction An advanced phase of chronic myelogenous leukemia, characterized by a rapid increase in the proportion of immature white blood cells (blasts) in the blood and bone marrow to greater than 30%. - Blast Crisis Blast Crisis + Blast Crisis 413656006 1024400 C0005699 @@ -229756,8 +254536,8 @@ This interpretation is *not* the same as an at-all-times relation Blood Coagulation Disorders [Disease/Finding] C0005779 - M0002683 Disorders, Blood Coagulation + M0002683 Hemorrhagic and thrombotic disorders that occur as a consequence of abnormalities in blood coagulation due to a variety of factors such as COAGULATION PROTEIN DISORDERS; BLOOD PLATELET DISORDERS; BLOOD PROTEIN DISORDERS or nutritional conditions. 362970003 @@ -229773,8 +254553,8 @@ This interpretation is *not* the same as an at-all-times relation 1025348 C0005818 22716005 - Blood Platelet Disorders + Chronic Encephalopathy @@ -229785,8 +254565,8 @@ This interpretation is *not* the same as an at-all-times relation M0002872 D001925 - C0006109 Brain Damage, Chronic [Disease/Finding] + C0006109 Brain Damage, Chronic C1384 A condition characterized by long-standing brain dysfunction or damage, usually of three months duration or longer. Potential etiologies include BRAIN INFARCTION; certain NEURODEGENERATIVE DISORDERS; CRANIOCEREBRAL TRAUMA; ANOXIA, BRAIN; ENCEPHALITIS; certain NEUROTOXICITY SYNDROMES; metabolic disorders (see BRAIN DISEASES, METABOLIC); and other conditions. @@ -229804,11 +254584,11 @@ This interpretation is *not* the same as an at-all-times relation Intracranial Central Nervous System Disorders 81308009 Pathologic conditions affecting the BRAIN, which is composed of the intracranial components of the CENTRAL NERVOUS SYSTEM. This includes (but is not limited to) the CEREBRAL CORTEX; intracranial white matter; BASAL GANGLIA; THALAMUS; HYPOTHALAMUS; BRAIN STEM; and CEREBELLUM. - Central Nervous System Intracranial Disorders D001927 + Central Nervous System Intracranial Disorders C1388 - CNS Disorders, Intracranial Central Nervous System Disorders, Intracranial + CNS Disorders, Intracranial Brain Disorders Encephalon Diseases Brain Diseases [Disease/Finding] @@ -229820,8 +254600,8 @@ This interpretation is *not* the same as an at-all-times relation 189537005 Neoplasms of the intracranial components of the central nervous system, including the cerebral hemispheres, basal ganglia, hypothalamus, thalamus, brain stem, and cerebellum. Brain neoplasms are subdivided into primary (originating from brain tissue) and secondary (i.e., metastatic) forms. Primary neoplasms are subdivided into benign and malignant forms. In general, brain tumors may also be classified by age of onset, histologic type, or presenting location in the brain. C0006118 - Brain Neoplasms N0000000609 + Brain Neoplasms Brain Neoplasms 1025641 @@ -229834,13 +254614,13 @@ This interpretation is *not* the same as an at-all-times relation D001943 Tumors or cancer of the human BREAST. Breast Neoplasms - Breast Neoplasms C1402 + Breast Neoplasms Breast Tumors Neoplasms, Breast M0002910 - Tumors, Breast Breast Neoplasms [Disease/Finding] + Tumors, Breast N0000000612 C1458155 @@ -229852,28 +254632,28 @@ This interpretation is *not* the same as an at-all-times relation Candidiasis, Vulvovaginal Candidiasis, Vulvovaginal D002181 - M0003262 1024776 + M0003262 72605008 - Infection of the VULVA and VAGINA with a fungus of the genus CANDIDA. N0000000654 + Infection of the VULVA and VAGINA with a fungus of the genus CANDIDA. Candidiasis, Vulvovaginal [Disease/Finding] - C0700345 C1486 + C0700345 1025619 Renal Cell Carcinoma - Carcinoma, Renal Cell [Disease/Finding] C0007134 + Carcinoma, Renal Cell [Disease/Finding] M0003442 Renal Cell Cancer 188251003 Adenocarcinoma, Renal Cell - Carcinoma, Renal Cell Carcinoma, Renal Cell + Carcinoma, Renal Cell A heterogeneous group of sporadic or hereditary carcinoma derived from cells of the KIDNEYS. There are several subtypes including the clear cells, the papillary, the chromophobe, the collecting duct, the spindle cells (sarcomatoid), or mixed cell-type carcinoma. D002292 C1534 @@ -229892,8 +254672,8 @@ This interpretation is *not* the same as an at-all-times relation Cardiac Output, Low [Disease/Finding] N0000000683 86318000 - A state of subnormal or depressed cardiac output at rest or during stress. It is a characteristic of CARDIOVASCULAR DISEASES, including congenital, valvular, rheumatic, hypertensive, coronary, and cardiomyopathic. The serious form of low cardiac output is characterized by marked reduction in STROKE VOLUME, and systemic vasoconstriction resulting in cold, pale, and sometimes cyanotic extremities. M0003453 + A state of subnormal or depressed cardiac output at rest or during stress. It is a characteristic of CARDIOVASCULAR DISEASES, including congenital, valvular, rheumatic, hypertensive, coronary, and cardiomyopathic. The serious form of low cardiac output is characterized by marked reduction in STROKE VOLUME, and systemic vasoconstriction resulting in cold, pale, and sometimes cyanotic extremities. M0003464 @@ -229940,8 +254720,8 @@ This interpretation is *not* the same as an at-all-times relation Cerebral Hemorrhage Intracerebral Hemorrhage Hemorrhage, Cerebrum - D002543 Bleeding into one or both CEREBRAL HEMISPHERES including the BASAL GANGLIA and the CEREBRAL CORTEX. It is often associated with HYPERTENSION and CRANIOCEREBRAL TRAUMA. + D002543 Cerebral Hemorrhage 1103691 274100004 @@ -229969,8 +254749,8 @@ This interpretation is *not* the same as an at-all-times relation D003015 Infections with bacteria of the genus CLOSTRIDIUM. - Clostridium Infections [Disease/Finding] 989684 + Clostridium Infections [Disease/Finding] C0009062 Clostridium Infections 56688005 @@ -229987,8 +254767,8 @@ This interpretation is *not* the same as an at-all-times relation Inflammation of the COLON section of the large intestine (INTESTINE, LARGE), usually with symptoms such as DIARRHEA (often with blood and mucus), ABDOMINAL PAIN, and FEVER. M0004770 Colitis - Colitis [Disease/Finding] 1024342 + Colitis [Disease/Finding] Colitis @@ -229997,13 +254777,13 @@ This interpretation is *not* the same as an at-all-times relation 64766004 C0009324 1025158 - M0004771 Colitis, Ulcerative [Disease/Finding] + M0004771 N0000000807 Inflammation of the COLON that is predominantly confined to the MUCOSA. Its major symptoms include DIARRHEA, rectal BLEEDING, the passage of MUCUS, and ABDOMINAL PAIN. Colitis, Ulcerative - C1792 D003093 + C1792 Colitis, Ulcerative @@ -230011,33 +254791,33 @@ This interpretation is *not* the same as an at-all-times relation Colonic Diseases D003108 - Colonic Diseases [Disease/Finding] Colonic Diseases - 1025915 + Colonic Diseases [Disease/Finding] M0004814 - Pathological processes in the COLON region of the large intestine (INTESTINE, LARGE). + 1025915 N0000000811 + Pathological processes in the COLON region of the large intestine (INTESTINE, LARGE). C1800 C0009373 - N0000000819 Comatose + N0000000819 988251 Coma [Disease/Finding] M0004841 - Coma C1816 + Coma - 371632003 C0009421 + 371632003 D003128 A profound state of unconsciousness associated with depressed cerebral activity from which the individual cannot be aroused. Coma generally occurs when there is dysfunction or injury involving both cerebral hemispheres or the brain stem RETICULAR FORMATION. Coma - Allergic Conjunctivitis C1848 + Allergic Conjunctivitis M0005017 Conjunctivitis, Allergic N0000000835 @@ -230047,45 +254827,45 @@ This interpretation is *not* the same as an at-all-times relation 984750 D003233 Conjunctivitis, Allergic - Conjunctivitis due to hypersensitivity to various allergens. 231854006 + Conjunctivitis due to hypersensitivity to various allergens. C0009766 105969002 D003240 M0005027 - C1856 C0009782 + C1856 986518 Connective Tissue Diseases - A heterogeneous group of disorders, some hereditary, others acquired, characterized by abnormal structure or function of one or more of the elements of connective tissue, i.e., collagen, elastin, or the mucopolysaccharides. N0000000839 + A heterogeneous group of disorders, some hereditary, others acquired, characterized by abnormal structure or function of one or more of the elements of connective tissue, i.e., collagen, elastin, or the mucopolysaccharides. Connective Tissue Diseases [Disease/Finding] Connective Tissue Diseases 1022104 - Constipation Constipation + Constipation Constipation [Disease/Finding] - D003248 14760008 + D003248 Infrequent or difficult evacuation of FECES. These symptoms are associated with a variety of causes, including low DIETARY FIBER intake, emotional or nervous disturbances, systemic and structural disorders, drug-induced aggravation, and infections. C0009806 M0005043 - N0000000841 C1860 + N0000000841 - Cryoglobulinemia 1027021 + Cryoglobulinemia A condition characterized by the presence of abnormal quantities of CRYOGLOBULINS in the blood. Upon cold exposure, these abnormal proteins precipitate into the microvasculature leading to restricted blood flow in the exposed areas. M0005376 - 30911005 D003449 + 30911005 Cryoglobulinemia [Disease/Finding] C0010403 Cryoglobulinemia @@ -230111,13 +254891,13 @@ This interpretation is *not* the same as an at-all-times relation C0011581 - Depressive Disorder D003866 + Depressive Disorder M0006033 1026289 - Neurosis, Depressive Depressive Disorder N0000000938 + Neurosis, Depressive C2054 Depressive Disorder [Disease/Finding] 35489007 @@ -230148,17 +254928,17 @@ This interpretation is *not* the same as an at-all-times relation Digestive System Diseases M0006374 + N0000000973 1023342 C2124 D004066 - N0000000973 D004342 Drug Hypersensitivity N0000000999 - 416093006 Hypersensitivity, Drug + 416093006 1024684 C0013182 Drug Allergy @@ -230167,8 +254947,8 @@ This interpretation is *not* the same as an at-all-times relation Immunologically mediated adverse reactions to medicinal substances used legally or illegally. Allergy, Drug C2176 - Drug Hypersensitivity M0006829 + Drug Hypersensitivity 416098002 @@ -230191,8 +254971,8 @@ This interpretation is *not* the same as an at-all-times relation D004378 Duodenal Diseases - M0006881 C0013289 + M0006881 1022796 Pathological conditions in the DUODENUM region of the small intestine (INTESTINE, SMALL). C2188 @@ -230203,8 +254983,8 @@ This interpretation is *not* the same as an at-all-times relation C1527298 Dysentery, Bacillary - D004405 N0000001018 + D004405 M0006916 C2214 DYSENTERY caused by gram-negative rod-shaped enteric bacteria (ENTEROBACTERIACEAE), most often by the genus SHIGELLA. Shigella dysentery, Shigellosis, is classified into subgroups according to syndrome severity and the infectious species. Group A: SHIGELLA DYSENTERIAE (severest); Group B: SHIGELLA FLEXNERI; Group C: SHIGELLA BOYDII; and Group D: SHIGELLA SONNEI (mildest). @@ -230219,14 +254999,14 @@ This interpretation is *not* the same as an at-all-times relation 1029275 Elephantiasis Elephantiasis [Disease/Finding] - C0013882 Elephantiasis + C0013882 240820001 D004604 Hypertrophy and thickening of the tissues from any cause. Elephantiasis caused by filarial infection is ELEPHANTIASIS, FILARIAL. (From Dorland, 27th ed) - M0007229 N0000001062 + M0007229 Inflammation of the ENDOCARDIUM caused by BACTERIA that entered the bloodstream. The strains of bacteria vary with predisposing factors, such as CONGENITAL HEART DEFECTS; HEART VALVE DISEASES; HEART VALVE PROSTHESIS IMPLANTATION; or intravenous drug use. @@ -230234,11 +255014,11 @@ This interpretation is *not* the same as an at-all-times relation Endocarditis, Bacterial 301183007 C2372 - Endocarditis, Bacterial [Disease/Finding] D004697 + Endocarditis, Bacterial [Disease/Finding] 1021809 - C0014121 + C0014121 N0000001097 M0007393 Bacterial Endocarditis @@ -230247,9 +255027,9 @@ This interpretation is *not* the same as an at-all-times relation 129103003 - Endometriosis - Endometriosis [Disease/Finding] C0014175 + Endometriosis [Disease/Finding] + Endometriosis Endometriosis 1024249 C2382 @@ -230262,9 +255042,9 @@ This interpretation is *not* the same as an at-all-times relation D004760 1025705 + 43752006 C0014356 - 43752006 Enterocolitis M0007478 N0000001109 @@ -230319,18 +255099,18 @@ This interpretation is *not* the same as an at-all-times relation M0007740 Achalasia A motility disorder of the ESOPHAGUS in which the LOWER ESOPHAGEAL SPHINCTER (near the CARDIA) fails to relax resulting in functional obstruction of the esophagus, and DYSPHAGIA. Achalasia is characterized by a grossly contorted and dilated esophagus (megaesophagus). - Achalasia, Esophageal + Esophageal Achalasia [Disease/Finding] D004931 N0000001181 - Eye Diseases [Disease/Finding] Eye Diseases Eye Diseases - 1023594 + Eye Diseases [Disease/Finding] D005128 + 1023594 194183009 M0008088 C2540 @@ -230348,16 +255128,16 @@ This interpretation is *not* the same as an at-all-times relation Gastrointestinal Diseases [Disease/Finding] Gastrointestinal Diseases D005767 - Diseases in any segment of the GASTROINTESTINAL TRACT from ESOPHAGUS to RECTUM. + Diseases in any segment of the GASTROINTESTINAL TRACT from ESOPHAGUS to RECTUM. Tumors or cancer of the GASTROINTESTINAL TRACT, from the MOUTH to the ANAL CANAL. 1025588 D005770 N0000001321 - Gastrointestinal Neoplasms Gastrointestinal Neoplasms + Gastrointestinal Neoplasms M0009038 C2820 126768004 @@ -230411,20 +255191,20 @@ This interpretation is *not* the same as an at-all-times relation N0000001353 Glomerulosclerosis, Focal Segmental Glomerulosclerosis, Focal Segmental - M0009302 Focal Segmental Glomerulosclerosis + M0009302 1026699 C0017668 - 234646005 Graft-Versus-Host Disease + 234646005 M0009578 N0000001384 C0018133 - C2946 Graft vs Host Disease [Disease/Finding] + The clinical entity characterized by anorexia, diarrhea, loss of hair, leukopenia, thrombocytopenia, growth retardation, and eventual death brought about by the GRAFT VS HOST REACTION. Runt Disease Homologous Wasting Disease @@ -230461,37 +255241,37 @@ This interpretation is *not* the same as an at-all-times relation N0000001398 C2974 - Haemophilus Infections Haemophilus Infections [Disease/Finding] + Haemophilus Infections 41659003 M0009740 C3038 Heart Block - M0009945 Heart Block [Disease/Finding] + M0009945 Heart Block 1023276 - D006327 - Impaired conduction of cardiac impulse that can occur anywhere along the conduction pathway, such as between the SINOATRIAL NODE and the right atrium (SA block) or between atria and ventricles (AV block). Heart blocks can be classified by the duration, frequency, or completeness of conduction block. Reversibility depends on the degree of structural or functional defects. - N0000001430 + Impaired conduction of cardiac impulse that can occur anywhere along the conduction pathway, such as between the SINOATRIAL NODE and the right atrium (SA block) or between atria and ventricles (AV block). Heart blocks can be classified by the duration, frequency, or completeness of conduction block. Reversibility depends on the degree of structural or functional defects. + D006327 233916004 + N0000001430 C0018794 + Heart Defects, Congenital [Disease/Finding] D006330 Heart Abnormalities - Heart Defects, Congenital [Disease/Finding] Congenital Heart Defect 1022077 204413006 N0000001431 C3040 + Abnormality, Heart Congenital Heart Defects Developmental abnormalities involving structures of the heart. These defects are present at birth but may be discovered later in life. - Abnormality, Heart Heart Defects, Congenital C0018798 M0009950 @@ -230532,26 +255312,26 @@ This interpretation is *not* the same as an at-all-times relation - C3074 Helminthiasis + C3074 M0010007 - Helminthiasis - D006373 Infestation with parasitic worms of the helminth class. + D006373 + Helminthiasis Helminthiasis [Disease/Finding] 1021865 C0018889 - 27601005 N0000001448 + 27601005 D006391 189194008 - Hemangioma Hemangioma + Hemangioma 400210000 - C3080 N0000001451 + C3080 M0010031 C0018916 987582 @@ -230560,8 +255340,8 @@ This interpretation is *not* the same as an at-all-times relation - D006402 C3096 + D006402 Hematologic Diseases [Disease/Finding] 191402006 1021953 @@ -230578,10 +255358,10 @@ This interpretation is *not* the same as an at-all-times relation - Hemoglobinopathies A group of inherited disorders characterized by structural alterations within the hemoglobin molecule. - C3122 + Hemoglobinopathies N0000001472 + C3122 80141007 Hemoglobinopathies M0010129 @@ -230597,8 +255377,8 @@ This interpretation is *not* the same as an at-all-times relation Hemorrhage M0010152 Bleeding or escape of blood from a vessel. - Hemorrhage N0000001481 + Hemorrhage 195511004 1023287 C3140 @@ -230609,10 +255389,10 @@ This interpretation is *not* the same as an at-all-times relation C0019087 Hemorrhagic Diathesis Hemorrhagic Disorders - D006474 C3148 - M0010157 + D006474 + M0010157 Hemorrhagic Disorders Hemorrhagic Disorders [Disease/Finding] N0000001485 @@ -230622,8 +255402,8 @@ This interpretation is *not* the same as an at-all-times relation 1021881 - M0010236 109841003 + M0010236 Liver Cancer, Adult Hepatoma @@ -230674,10 +255454,10 @@ This interpretation is *not* the same as an at-all-times relation Hypersensitivity [Disease/Finding] - C3398 Hypersensitivity - Allergy + C3398 D006967 + Allergy N0000001610 106190000 @@ -230712,8 +255492,8 @@ This interpretation is *not* the same as an at-all-times relation 1023354 Blood Pressure, High Hypertension - C0020538 N0000001616 + C0020538 C3410 Hypertension [Disease/Finding] @@ -230729,26 +255509,26 @@ This interpretation is *not* the same as an at-all-times relation Vascular Hypotension Hypotension Hypotension - Abnormally low BLOOD PRESSURE that can result in inadequate blood flow to the brain and other vital organs. Common symptom is DIZZINESS but greater negative impacts on the body occur when there is prolonged depravation of oxygen and nutrients. + Hypotension, Vascular C3476 Low Blood Pressure - Blood Pressure, Low D007022 + Blood Pressure, Low Hypotension [Disease/Finding] 1022536 45007003 C0020649 - Tumors or cancer in the ILEUM region of the small intestine (INTESTINE, SMALL). N0000001661 + Tumors or cancer in the ILEUM region of the small intestine (INTESTINE, SMALL). Ileal Neoplasms Ileal Neoplasms - Ileal Neoplasms [Disease/Finding] C0020876 + M0011024 1026955 126835002 @@ -230764,15 +255544,15 @@ This interpretation is *not* the same as an at-all-times relation Immunological Diseases C0021053 - Immune System Diseases [Disease/Finding] Disorders caused by abnormal or absent immunologic mechanisms, whether humoral, cell-mediated, or both. + Immune System Diseases [Disease/Finding] C3514 Immune Diseases Immune Disorders Immune System Diseases M0011156 - 1022843 Diseases of Immune System + 1022843 M0011294 @@ -230781,31 +255561,31 @@ This interpretation is *not* the same as an at-all-times relation D007239 C0021311 Infection - Infection [Disease/Finding] N0000001681 + Infection [Disease/Finding] + Infection Invasion of the host organism by microorganisms that can cause pathological conditions or diseases. 1022093 - Infection C3540 - D007249 C0021368 + D007249 - N0000001687 - 987778 23583003 + 987778 + N0000001687 A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function. - Inflammation [Disease/Finding] Inflammation + Inflammation [Disease/Finding] M0011307 C3552 Inflammation 85919009 - Intestinal Diseases N0000001698 + Intestinal Diseases D007410 1023320 Pathological processes in any segment of the INTESTINE from DUODENUM to RECTUM. @@ -230820,24 +255600,24 @@ This interpretation is *not* the same as an at-all-times relation N0000001702 Intestinal Obstruction Any impairment, arrest, or reversal of the normal flow of INTESTINAL CONTENTS toward the ANAL CANAL. - 1023737 Intestinal Obstruction [Disease/Finding] + 1023737 Intestinal Obstruction C3582 81060008 + M0011575 C0021843 D007415 - M0011575 C0022658 90708001 - M0012014 N0000001748 - Kidney Diseases [Disease/Finding] + M0012014 1022215 + Kidney Diseases [Disease/Finding] Kidney Diseases D007674 Pathological processes of the KIDNEY or its component tissues. @@ -230848,46 +255628,46 @@ This interpretation is *not* the same as an at-all-times relation D007943 A neoplastic disease of the lymphoreticular cells which is considered to be a rare type of chronic leukemia; it is characterized by an insidious onset, splenomegaly, anemia, granulocytopenia, thrombocytopenia, little or no lymphadenopathy, and the presence of "hairy" or "flagellated" cells in the blood and bone marrow. M0012387 - Reticuloendotheliosis, Leukemic Leukemia, Hairy Cell + Reticuloendotheliosis, Leukemic Leukemia, Hairy Cell N0000001820 1022561 Hairy Cell Leukemia 118613001 - Leukemic Reticuloendotheliosis C0023443 + Leukemic Reticuloendotheliosis 188644003 - Leukemia, Hairy Cell [Disease/Finding] C3818 + Leukemia, Hairy Cell [Disease/Finding] D008107 M0012644 Pathological processes of the LIVER. - 1024220 + 1024220 Liver Diseases [Disease/Finding] Liver Diseases Liver Diseases 235856003 C0023895 - C3910 N0000001866 + C3910 M0012744 Pathological processes involving any part of the LUNG. Pulmonary Disease - C3936 + C3936 D008171 19829001 Diseases, Pulmonary N0000001879 - Pulmonary Diseases Lung Diseases + Pulmonary Diseases Lung Diseases Disease, Pulmonary 1021971 @@ -230899,8 +255679,8 @@ This interpretation is *not* the same as an at-all-times relation C0024138 Lupus Erythematosus, Chronic Cutaneous 1022154 - A chronic form of cutaneous lupus erythematosus (LUPUS ERYTHEMATOSUS, CUTANEOUS) in which the skin lesions mimic those of the systemic form but in which systemic signs are rare. It is characterized by the presence of discoid skin plaques showing varying degrees of edema, erythema, scaliness, follicular plugging, and skin atrophy. Lesions are surrounded by an elevated erythematous border. The condition typically involves the face and scalp, but widespread dissemination may occur. Lupus Erythematosus, Discoid + A chronic form of cutaneous lupus erythematosus (LUPUS ERYTHEMATOSUS, CUTANEOUS) in which the skin lesions mimic those of the systemic form but in which systemic signs are rare. It is characterized by the presence of discoid skin plaques showing varying degrees of edema, erythema, scaliness, follicular plugging, and skin atrophy. Lesions are surrounded by an elevated erythematous border. The condition typically involves the face and scalp, but widespread dissemination may occur. Lupus Erythematosus, Discoid 238927000 @@ -230919,8 +255699,8 @@ This interpretation is *not* the same as an at-all-times relation Lupus Erythematosus Disseminatus Lupus Erythematosus, Systemic - D008180 C0024141 + D008180 Lupus Erythematosus, Systemic M0012757 N0000001887 @@ -230933,8 +255713,8 @@ This interpretation is *not* the same as an at-all-times relation Macular Dystrophy Age-Related Macular Degeneration Age-Related Maculopathies - Degenerative changes in the RETINA usually of older adults which results in a loss of vision in the center of the visual field (the MACULA LUTEA) because of damage to the retina. It occurs in dry and wet forms. M0012875 + Degenerative changes in the RETINA usually of older adults which results in a loss of vision in the center of the visual field (the MACULA LUTEA) because of damage to the retina. It occurs in dry and wet forms. 302891003 Macular Degeneration [Disease/Finding] C0242383 @@ -230955,30 +255735,30 @@ This interpretation is *not* the same as an at-all-times relation Remittent Fever Malaria 105649009 - 186797008 1025176 + 186797008 Paludism - C4026 Marsh Fever + C4026 61462000 A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia. D008288 + M0012910 Malaria [Disease/Finding] Plasmodium Infections - M0012910 - Malaria, Avian 1024199 + Malaria, Avian Any of a group of infections of fowl caused by protozoa of the genera PLASMODIUM, Leucocytozoon, and Haemoproteus. The life cycles of these parasites and the disease produced bears strong resemblance to those observed in human malaria. D008289 C0024533 1498006 C4028 - Malaria, Avian Malaria, Avian [Disease/Finding] + Malaria, Avian N0000001925 M0012911 @@ -230989,12 +255769,12 @@ This interpretation is *not* the same as an at-all-times relation Mansonellosis 240849009 - Mansonelliasis M0013012 + Mansonelliasis Mansonelliasis - D008368 C4060 Infection with nematodes of the genus MANSONELLA. Symptoms include pruritus, headache, and articular swelling. + D008368 1025658 @@ -231013,14 +255793,14 @@ This interpretation is *not* the same as an at-all-times relation 1023577 - 1021753 Variations of menstruation which may be indicative of disease. + 1021753 D008599 Menstruation Disorders C4166 M0013402 - Menstruation Disturbances Menstruation Disturbances + Menstruation Disturbances C0025345 N0000001994 386804004 @@ -231067,8 +255847,8 @@ This interpretation is *not* the same as an at-all-times relation Multiple Myeloma M0014195 Kahler Disease - 1022141 C0026764 + 1022141 Multiple Myeloma 109989006 @@ -231095,13 +255875,13 @@ This interpretation is *not* the same as an at-all-times relation 192928003 - C4318 - A disorder of neuromuscular transmission characterized by weakness of cranial and skeletal muscles. Autoantibodies directed against acetylcholine receptors damage the motor endplate portion of the NEUROMUSCULAR JUNCTION, impairing the transmission of impulses to skeletal muscles. Clinical manifestations may include diplopia, ptosis, and weakness of facial, bulbar, respiratory, and proximal limb muscles. The disease may remain limited to the ocular muscles. THYMOMA is commonly associated with this condition. (Adams et al., Principles of Neurology, 6th ed, p1459) - C0026896 91637004 + C0026896 + A disorder of neuromuscular transmission characterized by weakness of cranial and skeletal muscles. Autoantibodies directed against acetylcholine receptors damage the motor endplate portion of the NEUROMUSCULAR JUNCTION, impairing the transmission of impulses to skeletal muscles. Clinical manifestations may include diplopia, ptosis, and weakness of facial, bulbar, respiratory, and proximal limb muscles. The disease may remain limited to the ocular muscles. THYMOMA is commonly associated with this condition. (Adams et al., Principles of Neurology, 6th ed, p1459) + C4318 D009157 - 1024161 Myasthenia Gravis + 1024161 M0014279 Myasthenia Gravis @@ -231111,16 +255891,16 @@ This interpretation is *not* the same as an at-all-times relation Infections, Atypical Mycobacterium Infections with so called atypical mycobacteria (tuberculoid bacilli): M. kansasii, M. marinum, M. scrofulaceum, M. flavescens, M. gordonae, M. obuense, M. gilvum, M. duvali, M. szulgai, M. intracellulare (see MYCOBACTERIUM AVIUM COMPLEX;), M. xenopi (littorale), M. ulcerans, M. buruli, M. terrae, M. fortuitum (minetti, giae), M. chelonae. - 111812000 Mycobacterium Infections, Atypical + 111812000 Infections, Tuberculoid 1026349 Atypical Mycobacterium Infections - 111811007 Tuberculoid Infections + 111811007 - M0014288 Mycobacterium Infections, Atypical [Disease/Finding] + M0014288 N0000002072 Mycobacterium Infections, Atypical C0026919 @@ -231129,8 +255909,8 @@ This interpretation is *not* the same as an at-all-times relation 188618003 - Mycosis Fungoides Mycosis Fungoides + Mycosis Fungoides A chronic, malignant T-cell lymphoma of the skin. In the late stages, the LYMPH NODES and viscera are affected. 118618005 @@ -231146,13 +255926,13 @@ This interpretation is *not* the same as an at-all-times relation Myocardial Infarction Myocardial Infarct - C4348 1024565 + C4348 N0000002085 NECROSIS of the MYOCARDIUM caused by an obstruction of the blood supply to the heart (CORONARY CIRCULATION). 22298006 - Myocardial Infarction [Disease/Finding] C0027051 + Myocardial Infarction [Disease/Finding] D009203 M0014340 Myocardial Infarction @@ -231160,8 +255940,8 @@ This interpretation is *not* the same as an at-all-times relation 1023644 C0027497 - Nausea Nausea [Disease/Finding] + Nausea M0014528 An unpleasant sensation in the stomach usually accompanied by the urge to vomit. Common causes are early pregnancy, sea and motion sickness, emotional stress, intense pain, food poisoning, and various enteroviruses. N0000002114 @@ -231178,12 +255958,12 @@ This interpretation is *not* the same as an at-all-times relation Tumors 1022284 M0014585 + New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms. 189526009 189525008 - New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms. C0027651 - Neoplasms [Disease/Finding] + N0000002128 C4434 D009369 @@ -231192,8 +255972,8 @@ This interpretation is *not* the same as an at-all-times relation C4496 Neurologic Disorders Nervous System Diseases - Nervous System Diseases D009422 + Nervous System Diseases Nervous System Disorders N0000002159 1026444 @@ -231220,19 +256000,19 @@ This interpretation is *not* the same as an at-all-times relation Neurological Manifestations Neurologic Manifestations Clinical signs and symptoms caused by nervous system injury or dysfunction. - Manifestations, Neurologic C0027854 + Manifestations, Neurologic - N0000002203 Obsessive-Compulsive Disorder - C0028768 + N0000002203 1022585 + C0028768 Obsessive-Compulsive Disorder Anankastic Personality - Neurosis, Obsessive-Compulsive An anxiety disorder characterized by recurrent, persistent obsessions or compulsions. Obsessions are the intrusive ideas, thoughts, or images that are experienced as senseless or repugnant. Compulsions are repetitive and seemingly purposeful behavior which the individual generally recognizes as senseless and from which the individual does not derive pleasure although it may provide a release from tension. + Neurosis, Obsessive-Compulsive M0015170 191736004 D009771 @@ -231273,8 +256053,8 @@ This interpretation is *not* the same as an at-all-times relation 1021856 D010146 - C4734 22253000 + C4734 C0030193 M0015742 An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS. @@ -231284,8 +256064,8 @@ This interpretation is *not* the same as an at-all-times relation Pancreas Neoplasms - Tumors or cancer of the PANCREAS. Depending on the types of ISLET CELLS present in the tumors, various hormones can be secreted: GLUCAGON from PANCREATIC ALPHA CELLS; INSULIN from PANCREATIC BETA CELLS; and SOMATOSTATIN from the SOMATOSTATIN-SECRETING CELLS. Most are malignant except the insulin-producing tumors (INSULINOMA). D010190 + Tumors or cancer of the PANCREAS. Depending on the types of ISLET CELLS present in the tumors, various hormones can be secreted: GLUCAGON from PANCREATIC ALPHA CELLS; INSULIN from PANCREATIC BETA CELLS; and SOMATOSTATIN from the SOMATOSTATIN-SECRETING CELLS. Most are malignant except the insulin-producing tumors (INSULINOMA). Pancreatic Neoplasms Pancreatic Neoplasms C4754 @@ -231304,34 +256084,34 @@ This interpretation is *not* the same as an at-all-times relation C4832 Parkinson's Disease Idiopathic Parkinson's Disease - M0015963 49049000 + M0015963 Parkinson Disease [Disease/Finding] Paralysis Agitans - C0030567 1022466 + C0030567 Parkinson's Disease, Lewy Body A progressive, degenerative neurologic disease characterized by a TREMOR that is maximal at rest, retropulsion (i.e. a tendency to fall backwards), rigidity, stooped posture, slowness of voluntary movements, and a masklike facial expression. Pathologic features include loss of melanin containing neurons in the substantia nigra and other pigmented nuclei of the brainstem. LEWY BODIES are present in the substantia nigra and locus coeruleus but may also be found in a related condition (LEWY BODY DISEASE, DIFFUSE) characterized by dementia in combination with varying degrees of parkinsonism. (Adams et al., Principles of Neurology, 6th ed, p1059, pp1067-75) - N0000002327 Lewy Body Parkinson Disease + N0000002327 Parkinson Disease Parkinson Disease Parkinson's Disease, Idiopathic Idiopathic Parkinson Disease - Primary Parkinsonism D010300 + Primary Parkinsonism N0000002338 The abnormal mechanisms and forms involved in the dysfunctions of tissues and organs. - 1025320 C0030660 + 1025320 Processes, Pathologic Pathological Processes Pathologic Processes [Disease/Finding] - 370135005 + Pathologic Processes D010335 M0016012 @@ -231342,8 +256122,8 @@ This interpretation is *not* the same as an at-all-times relation Pemphigus - 65172003 1025707 + 65172003 D010392 M0016112 C0030807 @@ -231362,8 +256142,8 @@ This interpretation is *not* the same as an at-all-times relation 266437002 196697002 C0030920 - N0000002351 1024813 + N0000002351 13200003 Peptic Ulcer Gastroduodenal Ulcer @@ -231372,14 +256152,14 @@ This interpretation is *not* the same as an at-all-times relation Pericarditis - 1025582 D010493 + 1025582 C0031046 - Pericarditis [Disease/Finding] 3238004 - M0016303 - Pericarditis + Pericarditis [Disease/Finding] C4902 + Pericarditis + M0016303 Inflammation of the PERICARDIUM from various origins, such as infection, neoplasm, autoimmune process, injuries, or drug-induced. Pericarditis usually leads to PERICARDIAL EFFUSION, or CONSTRICTIVE PERICARDITIS. N0000002362 @@ -231387,29 +256167,29 @@ This interpretation is *not* the same as an at-all-times relation Constrictive Pericarditis C0031048 - N0000002363 Pericarditis, Constrictive + N0000002363 M0016304 85598007 1026769 Pericarditis, Constrictive Pericarditis, Constrictive [Disease/Finding] Inflammation of the PERICARDIUM that is characterized by the fibrous scarring and adhesion of both serous layers, the VISCERAL PERICARDIUM and the PARIETAL PERICARDIUM leading to the loss of pericardial cavity. The thickened pericardium severely restricts cardiac filling. Clinical signs include FATIGUE, muscle wasting, and WEIGHT LOSS. - D010494 - C4904 + + D010494 Photosensitivity Disorders [Disease/Finding] D010787 C4970 Photodermatitis - M0016756 C0031762 - Photosensitivity Disorders - N0000002396 + M0016756 1026591 + N0000002396 + Photosensitivity Disorders Photosensitivity Disorders 22649008 Abnormal responses to sunlight or artificial light due to extreme reactivity of light-absorbing molecules in tissues. It refers almost exclusively to skin photosensitivity, including sunburn, reactions due to repeated prolonged exposure in the absence of photosensitizing factors, and reactions requiring photosensitizing factors such as photosensitizing agents and certain diseases. With restricted reference to skin tissue, it does not include photosensitivity of the eye to light, as in photophobia or photosensitive epilepsy. @@ -231417,8 +256197,8 @@ This interpretation is *not* the same as an at-all-times relation Pneumonia, Primary Atypical 46970008 - Pneumonia, Mycoplasma [Disease/Finding] Mycoplasma Pneumonia + Pneumonia, Mycoplasma [Disease/Finding] Pneumonia, Mycoplasma 1023268 N0000002436 @@ -231431,13 +256211,13 @@ This interpretation is *not* the same as an at-all-times relation D011019 - M0017099 Poisoning + M0017099 N0000002447 A condition or physical state produced by the ingestion, injection, inhalation of or exposure to a deleterious agent. Poisoning [Disease/Finding] - C5072 Poisoning + C5072 D011041 C0032343 1026915 @@ -231450,13 +256230,13 @@ This interpretation is *not* the same as an at-all-times relation C0032787 Complication, Postoperative M0017367 - Postoperative Complications [Disease/Finding] 385486001 + Postoperative Complications [Disease/Finding] Postoperative Complications D011183 Postoperative Complications - Pathologic processes that affect patients after a surgical procedure. They may or may not be related to the disease for which the surgery was done, and they may or may not be direct results of the surgery. 1022600 + Pathologic processes that affect patients after a surgical procedure. They may or may not be related to the disease for which the surgery was done, and they may or may not be direct results of the surgery. C5112 @@ -231465,11 +256245,11 @@ This interpretation is *not* the same as an at-all-times relation C5134 Pregnancy Complications C0032962 - Conditions or pathological processes associated with pregnancy. They can occur during or after pregnancy, and range from minor discomforts to serious diseases that require medical interventions. They include diseases in pregnant females, and pregnancies in females with diseases. N0000002478 + Conditions or pathological processes associated with pregnancy. They can occur during or after pregnancy, and range from minor discomforts to serious diseases that require medical interventions. They include diseases in pregnant females, and pregnancies in females with diseases. Complications, Pregnancy - 198881004 90821003 + 198881004 D011248 M0017474 Pregnancy Complications @@ -231486,9 +256266,9 @@ This interpretation is *not* the same as an at-all-times relation D011565 Psoriasis [Disease/Finding] 200961000 - M0017975 - C0033860 1022582 + C0033860 + M0017975 Psychotic Disorders @@ -231502,8 +256282,8 @@ This interpretation is *not* the same as an at-all-times relation C5242 M0018060 N0000002532 - 69322001 + Development of SEXUAL MATURATION in boys and girls at a chronological age that is 2.5 standard deviations below the mean age at onset of PUBERTY in the population. This early maturation of the hypothalamic-pituitary-gonadal axis results in sexual precocity, elevated serum levels of GONADOTROPINS and GONADAL STEROID HORMONES such as ESTRADIOL and TESTOSTERONE. @@ -231529,10 +256309,10 @@ This interpretation is *not* the same as an at-all-times relation Rectal Diseases [Disease/Finding] 1024401 Rectal Diseases - 5964004 C0034882 - M0018654 + 5964004 Rectal Diseases + M0018654 C5334 @@ -231548,8 +256328,8 @@ This interpretation is *not* the same as an at-all-times relation Shock Lung D012128 Respiratory Distress Syndrome, Acute - Respiratory Distress Syndrome, Adult [Disease/Finding] C5372 + Respiratory Distress Syndrome, Adult [Disease/Finding] 67782005 95437004 N0000002597 @@ -231565,8 +256345,8 @@ This interpretation is *not* the same as an at-all-times relation Retinal Diseases 29555009 N0000002609 - C0035309 399625000 + C0035309 M0018945 @@ -231581,8 +256361,8 @@ This interpretation is *not* the same as an at-all-times relation Reye's Syndrome A form of encephalopathy with fatty infiltration of the LIVER, characterized by brain EDEMA and VOMITING that may rapidly progress to SEIZURES; COMA; and DEATH. It is caused by a generalized loss of mitochondrial function leading to disturbances in fatty acid and CARNITINE metabolism. C0035400 - Reye Syndrome [Disease/Finding] C5426 + Reye Syndrome [Disease/Finding] Reye-Johnson Syndrome @@ -231620,8 +256400,8 @@ This interpretation is *not* the same as an at-all-times relation 1025485 - C0035457 Rhinitis, Allergic, Perennial + C0035457 N0000002635 Rhinitis, Allergic, Perennial C5448 @@ -231643,16 +256423,16 @@ This interpretation is *not* the same as an at-all-times relation Salmonella Infections Infections, Salmonella C5510 - M0019393 N0000002666 + M0019393 Infections with bacteria of the genus SALMONELLA. Salmonella Infections D012514 - C0036220 A multicentric, malignant neoplastic vascular proliferation characterized by the development of bluish-red cutaneous nodules, usually on the lower extremities, most often on the toes or feet, and slowly increasing in size and number and spreading to more proximal areas. The tumors have endothelium-lined channels and vascular spaces admixed with variably sized aggregates of spindle-shaped cells, and often remain confined to the skin and subcutaneous tissue, but widespread visceral involvement may occur. Kaposi's sarcoma occurs spontaneously in Jewish and Italian males in Europe and the United States. An aggressive variant in young children is endemic in some areas of Africa. A third form occurs in about 0.04% of kidney transplant patients. There is also a high incidence in AIDS patients. (From Dorland, 27th ed & Holland et al., Cancer Medicine, 3d ed, pp2105-7) HHV-8 is the suspected cause. + C0036220 Kaposi's Sarcoma C5530 Kaposi Sarcoma @@ -231673,8 +256453,8 @@ This interpretation is *not* the same as an at-all-times relation C0036262 D012532 Scabies - A contagious cutaneous inflammation caused by the bite of the mite SARCOPTES SCABIEI. It is characterized by pruritic papular eruptions and burrows and affects primarily the axillae, elbows, wrists, and genitalia, although it can spread to cover the entire body. Scabies + A contagious cutaneous inflammation caused by the bite of the mite SARCOPTES SCABIEI. It is characterized by pruritic papular eruptions and burrows and affects primarily the axillae, elbows, wrists, and genitalia, although it can spread to cover the entire body. Scabies [Disease/Finding] M0019458 128869009 @@ -231688,10 +256468,10 @@ This interpretation is *not* the same as an at-all-times relation 191528006 191526005 D012559 - C5558 M0019489 - Schizophrenia + C5558 N0000002690 + Schizophrenia Dementia Praecox C0036341 Schizophrenia [Disease/Finding] @@ -231700,8 +256480,8 @@ This interpretation is *not* the same as an at-all-times relation 1022426 Systemic Scleroderma - Scleroderma, Systemic [Disease/Finding] A chronic multi-system disorder of CONNECTIVE TISSUE. It is characterized by SCLEROSIS in the SKIN, the LUNGS, the HEART, the GASTROINTESTINAL TRACT, the KIDNEYS, and the MUSCULOSKELETAL SYSTEM. Other important features include diseased small BLOOD VESSELS and AUTOANTIBODIES. The disorder is named for its most prominent feature (hard skin), and classified into subsets by the extent of skin thickening: LIMITED SCLERODERMA and DIFFUSE SCLERODERMA. + Scleroderma, Systemic [Disease/Finding] D012595 C5580 Systemic Sclerosis @@ -231756,24 +256536,24 @@ This interpretation is *not* the same as an at-all-times relation Shock, Cardiogenic [Disease/Finding] Shock, Cardiogenic M0019783 - 1026337 C0036980 - N0000002729 - Shock, Cardiogenic + 1026337 Shock resulting from diminution of cardiac output in heart disease. + Shock, Cardiogenic + N0000002729 C5700 Skin Diseases - D012871 + Dermatoses Skin Diseases Dermatosis C0037274 95320005 - N0000002761 1022858 + N0000002761 Skin Diseases [Disease/Finding] M0019929 @@ -231786,9 +256566,9 @@ This interpretation is *not* the same as an at-all-times relation Skin Diseases, Infectious [Disease/Finding] Skin Diseases, Infectious Infectious Skin Diseases - Skin diseases caused by bacteria, fungi, parasites, or viruses. 1025346 Skin Diseases, Infectious + Skin diseases caused by bacteria, fungi, parasites, or viruses. 108365000 M0019935 @@ -231813,17 +256593,17 @@ This interpretation is *not* the same as an at-all-times relation Skin Ulcer 46742003 C0037299 - Skin Ulcer [Disease/Finding] + Skin Ulcer N0000002769 - C5716 M0019944 247454005 + C5716 - C0038160 D013203 + C0038160 Staphylococcal Infections Staphylococcal Infections M0020423 @@ -231842,8 +256622,8 @@ This interpretation is *not* the same as an at-all-times relation C0038166 Staphylococcal Skin Diseases C5816 - Staphylococcal Skin Infections Infections to the skin caused by bacteria of the genus STAPHYLOCOCCUS. + Staphylococcal Skin Infections 1022363 N0000002819 @@ -231853,8 +256633,8 @@ This interpretation is *not* the same as an at-all-times relation Staphylococcal Skin Infections [Disease/Finding] Skin Diseases, Staphylococcal Infections, Staphylococcal Skin - 371308001 Staphylococcal Diseases, Skin + 371308001 Skin Infections, Staphylococcal @@ -231889,14 +256669,14 @@ This interpretation is *not* the same as an at-all-times relation Infection with nematodes of the genus STRONGYLOIDES. The presence of larvae may produce pneumonitis and the presence of adult worms in the intestine could lead to moderate to severe diarrhea. - C5860 C0038463 + C5860 D013322 1214006 1024903 - M0020615 Strongyloidiasis + M0020615 Strongyloidiasis [Disease/Finding] Strongyloidiasis N0000002841 @@ -231909,8 +256689,8 @@ This interpretation is *not* the same as an at-all-times relation 86651002 Tachycardia N0000002888 - M0020996 3424008 + M0020996 C5954 Tachycardia [Disease/Finding] C0039231 @@ -231919,15 +256699,15 @@ This interpretation is *not* the same as an at-all-times relation C5968 A generic expression for any tachycardia that originates above the BUNDLE OF HIS. - Tachycardia, Supraventricular Tachycardia, Supraventricular + Tachycardia, Supraventricular Tachycardia, Supraventricular [Disease/Finding] N0000002895 D013617 M0021006 + 1022287 6456007 C0039240 - 1022287 @@ -231941,20 +256721,20 @@ This interpretation is *not* the same as an at-all-times relation 276202003 D013742 Tetanus - 1022251 M0021200 + 1022251 C0039614 Thrombocythemia, Primary - Hemorrhagic Thrombocythemia - A clinical syndrome characterized by repeated spontaneous hemorrhages and a remarkable increase in the number of circulating platelets. + Hemorrhagic Thrombocythemia Thrombocythemia, Hemorrhagic + A clinical syndrome characterized by repeated spontaneous hemorrhages and a remarkable increase in the number of circulating platelets. 1022170 D013920 - N0000002931 M0021427 + N0000002931 Thrombocythemia, Essential [Disease/Finding] C6040 109994006 @@ -231980,13 +256760,13 @@ This interpretation is *not* the same as an at-all-times relation Obstruction of a blood vessel (embolism) by a blood clot (THROMBUS) in the blood stream. - C0040038 + C0040038 M0021430 C6046 371039008 - Thromboembolism 1027317 + Thromboembolism D013923 N0000002934 Thromboembolism [Disease/Finding] @@ -231996,10 +256776,10 @@ This interpretation is *not* the same as an at-all-times relation C6048 C0040046 Thrombophlebitis [Disease/Finding] + M0021432 + Thrombophlebitis 64156001 - Thrombophlebitis - M0021432 Thrombophlebitis Inflammation of a vein associated with a blood clot (THROMBUS). D013924 @@ -232012,8 +256792,8 @@ This interpretation is *not* the same as an at-all-times relation 1022873 N0000002936 - D013927 118927008 + D013927 C6050 Formation and development of a thrombus or blood clot in the blood vessel. Thrombosis [Disease/Finding] @@ -232025,9 +256805,9 @@ This interpretation is *not* the same as an at-all-times relation Tonsillitis Tonsillitis [Disease/Finding] - Tonsillitis C6116 Inflammation of the tonsils, especially the PALATINE TONSILS but the ADENOIDS (pharyngeal tonsils) and lingual tonsils may also be involved. Tonsillitis usually is caused by bacterial infection. Tonsillitis may be acute, chronic, or recurrent. + Tonsillitis N0000002969 C0040425 M0021666 @@ -232055,8 +256835,8 @@ This interpretation is *not* the same as an at-all-times relation 418107008 C0041657 Unconscious State - Consciousness, Loss of Unconsciousness + Consciousness, Loss of D014474 C6306 @@ -232073,12 +256853,12 @@ This interpretation is *not* the same as an at-all-times relation D014526 C6330 1025450 - Urethritis Inflammation involving the URETHRA. Similar to CYSTITIS, clinical symptoms range from vague discomfort to painful urination (DYSURIA), urethral discharge, or both. - 31822004 + Urethritis Urethritis - C0041976 + 31822004 M0022336 + C0041976 197905005 @@ -232090,15 +256870,15 @@ This interpretation is *not* the same as an at-all-times relation 1022769 Pathological processes of the URINARY TRACT in both males and females. D014570 - Urologic Diseases [Disease/Finding] 128606002 + Urologic Diseases [Disease/Finding] N0000003086 Urinary Tract Diseases C6350 Urological Diseases Urologic Diseases - C0042075 197951006 + C0042075 A vascular reaction of the skin characterized by erythema and wheal formation due to localized increase of vascular permeability. The causative mechanism may be allergy, infection, or stress. @@ -232117,13 +256897,13 @@ This interpretation is *not* the same as an at-all-times relation Uterine Diseases [Disease/Finding] - D014591 - Uterine Diseases C0042131 + Uterine Diseases + D014591 C6358 Uterine Diseases - M0022426 12337004 + M0022426 1025904 N0000003090 @@ -232148,15 +256928,15 @@ This interpretation is *not* the same as an at-all-times relation Tumors or cancer of the UTERUS. Uterine Neoplasms [Disease/Finding] - 126908007 C6364 + 126908007 N0000003093 1022983 Neoplasms, Uterus M0022431 - Uterine Neoplasms C0042138 + Uterine Neoplasms Uterine Neoplasms Neoplasms, Uterine D014594 @@ -232171,20 +256951,20 @@ This interpretation is *not* the same as an at-all-times relation Vascular Diseases M0022535 Pathological processes involving any of the BLOOD VESSELS in the cardiac or peripheral circulation. They include diseases of ARTERIES; VEINS; and rest of the vasculature system in the body. - C0042373 C6400 Vascular Diseases [Disease/Finding] + C0042373 Vascular Diseases N0000003118 C6414 - A potentially lethal cardiac arrhythmia that is characterized by uncoordinated extremely rapid firing of electrical impulses (400-600/min) in HEART VENTRICLES. Such asynchronous ventricular quivering or fibrillation prevents any effective cardiac output and results in unconsciousness (SYNCOPE). It is one of the major electrocardiographic patterns seen with CARDIAC ARREST. C0042510 + A potentially lethal cardiac arrhythmia that is characterized by uncoordinated extremely rapid firing of electrical impulses (400-600/min) in HEART VENTRICLES. Such asynchronous ventricular quivering or fibrillation prevents any effective cardiac output and results in unconsciousness (SYNCOPE). It is one of the major electrocardiographic patterns seen with CARDIAC ARREST. D014693 Ventricular Fibrillation [Disease/Finding] - Ventricular Fibrillation 1024218 + Ventricular Fibrillation 71908006 M0022595 @@ -232193,16 +256973,16 @@ This interpretation is *not* the same as an at-all-times relation An illusion of movement, either of the external world revolving around the individual or of the individual revolving in space. Vertigo may be associated with disorders of the inner ear (EAR, INNER); VESTIBULAR NERVE; BRAINSTEM; or CEREBRAL CORTEX. Lesions in the TEMPORAL LOBE and PARIETAL LOBE may be associated with FOCAL SEIZURES that may feature vertigo as an ictal manifestation. (From Adams et al., Principles of Neurology, 6th ed, pp300-1) N0000003121 - M0022633 - Vertigo [Disease/Finding] C6420 + Vertigo [Disease/Finding] + M0022633 Spinning Sensation 271792009 - Vertigo D014717 - C0042571 + Vertigo 1023692 + C0042571 Vertigo, Subjective Vertigo @@ -232211,12 +256991,12 @@ This interpretation is *not* the same as an at-all-times relation Vision Disorders C0042790 95677002 - 128127008 + Vision Disorders Vision Disorders [Disease/Finding] - M0022771 Visual impairments limiting one or more of the basic functions of the eye: visual acuity, dark adaptation, color vision, or peripheral vision. These may result from EYE DISEASES; OPTIC NERVE DISEASES; VISUAL PATHWAY diseases; OCCIPITAL LOBE diseases; OCULAR MOTILITY DISORDERS; and other conditions. Visual disability refers to inability of the individual to perform specific visual tasks, such as reading, writing, orientation, or traveling unaided. (From Newell, Ophthalmology: Principles and Concepts, 7th ed, p132) + M0022771 N0000003130 C6438 1023787 @@ -232237,8 +257017,8 @@ This interpretation is *not* the same as an at-all-times relation Vomiting - D014860 C6482 + D014860 Warts Warts [Disease/Finding] @@ -232294,8 +257074,8 @@ This interpretation is *not* the same as an at-all-times relation D015179 N0000003198 C0009404 - 126837005 + 126837005 Neoplasms, Colorectal Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI. Colorectal Neoplasms @@ -232303,13 +257083,13 @@ This interpretation is *not* the same as an at-all-times relation 1023128 - Bowel Diseases, Inflammatory 24526004 + Bowel Diseases, Inflammatory C6590 Inflammatory Bowel Diseases [Disease/Finding] M0023374 - Chronic, non-specific inflammation of the GASTROINTESTINAL TRACT. Etiology may be genetic or environmental. This term includes CROHN DISEASE and ULCERATIVE COLITIS. Inflammatory Bowel Diseases + Chronic, non-specific inflammation of the GASTROINTESTINAL TRACT. Etiology may be genetic or environmental. This term includes CROHN DISEASE and ULCERATIVE COLITIS. C0021390 Inflammatory Bowel Diseases @@ -232332,12 +257112,12 @@ This interpretation is *not* the same as an at-all-times relation 413389003 Leukemia, Myeloid, Accelerated Phase [Disease/Finding] 989240 - Leukemia, Myeloid, Accelerated Phase Leukemia, Myelogenous, Aggressive Phase - N0000003262 + Leukemia, Myeloid, Accelerated Phase C6702 - Myeloid Leukemia, Chronic, Aggressive Phase + N0000003262 Leukemia, Myeloid, Accelerated-Phase + Myeloid Leukemia, Chronic, Aggressive Phase Myelogenous Leukemia, Chronic, Aggressive Phase @@ -232348,8 +257128,8 @@ This interpretation is *not* the same as an at-all-times relation C0030319 C7062 Panic Disorder - M0025297 N0000003442 + M0025297 D016584 A type of anxiety disorder characterized by unexpected panic attacks that last minutes or, rarely, hours. Panic attacks begin with intense apprehension, fear or terror and, often, a feeling of impending doom. Symptoms experienced during a panic attack include dyspnea or sensations of being smothered; dizziness, loss of balance or faintness; choking sensations; palpitations or accelerated heart rate; shakiness; sweating; nausea or other form of abdominal distress; depersonalization or derealization; paresthesias; hot flashes or chills; chest discomfort or pain; fear of dying and fear of not being in control of oneself or going crazy. Agoraphobia may also develop. Similar to other anxiety disorders, it may be inherited as an autosomal dominant trait. @@ -232360,10 +257140,10 @@ This interpretation is *not* the same as an at-all-times relation N0000003481 M0025570 D016778 - C7140 1023574 - Malaria, Falciparum [Disease/Finding] + C7140 C0024535 + Malaria, Falciparum [Disease/Finding] 62676009 Malaria, Falciparum @@ -232371,8 +257151,8 @@ This interpretation is *not* the same as an at-all-times relation M0025572 - N0000003483 27052006 + N0000003483 C0024537 C7144 Malaria, Vivax @@ -232390,8 +257170,8 @@ This interpretation is *not* the same as an at-all-times relation 1022860 Kidney Failure Kidney Failure [Disease/Finding] - A severe irreversible decline in the ability of kidneys to remove wastes, concentrate URINE, and maintain ELECTROLYTE BALANCE; BLOOD PRESSURE; and CALCIUM metabolism. + A severe irreversible decline in the ability of kidneys to remove wastes, concentrate URINE, and maintain ELECTROLYTE BALANCE; BLOOD PRESSURE; and CALCIUM metabolism. C0035078 D051437 266553002 @@ -232404,8 +257184,8 @@ This interpretation is *not* the same as an at-all-times relation D017118 M0026010 An autosomal dominant porphyria that is due to a deficiency of HYDROXYMETHYLBILANE SYNTHASE in the LIVER, the third enzyme in the 8-enzyme biosynthetic pathway of HEME. Clinical features are recurrent and life-threatening neurologic disturbances, ABDOMINAL PAIN, and elevated level of AMINOLEVULINIC ACID and PORPHOBILINOGEN in the urine. - 1023116 Porphyria, Acute Intermittent [Disease/Finding] + 1023116 C7250 C0162565 Acute Porphyria @@ -232416,16 +257196,16 @@ This interpretation is *not* the same as an at-all-times relation Porphyria, Acute Intermittent - D017119 - 61860000 Porphyria Cutanea Tarda + 61860000 + D017119 C0162566 N0000003537 Porphyria Cutanea Tarda [Disease/Finding] An autosomal dominant or acquired porphyria due to a deficiency of UROPORPHYRINOGEN DECARBOXYLASE in the LIVER. It is characterized by photosensitivity and cutaneous lesions with little or no neurologic symptoms. Type I is the acquired form and is strongly associated with liver diseases and hepatic toxicities caused by alcohol or estrogenic steroids. Type II is the familial form. M0026011 - Porphyria Cutanea Tarda 1025616 + Porphyria Cutanea Tarda C7252 @@ -232441,13 +257221,13 @@ This interpretation is *not* the same as an at-all-times relation C7260 C0042514 D017180 - N0000003541 Ventricular Tachycardia + N0000003541 414545008 - Ischemia, Myocardial C0151744 + Ischemia, Myocardial A disorder of cardiac function caused by insufficient blood flow to the muscle tissue of the heart. The decreased blood flow may be due to narrowing of the coronary arteries (CORONARY ARTERY DISEASE), to obstruction by a thrombus (CORONARY THROMBOSIS), or less commonly, to diffuse narrowing of arterioles and other small vessels within the heart. Severe interruption of the blood supply to the myocardial tissue may result in necrosis of cardiac muscle (MYOCARDIAL INFARCTION). Heart Disease, Ischemic 1022046 @@ -232455,12 +257235,12 @@ This interpretation is *not* the same as an at-all-times relation M0026104 Myocardial Ischemia 414795007 - C7278 Myocardial Ischemia + C7278 Ischemic Heart Disease D017202 - Myocardial Ischemia [Disease/Finding] + Myocardial Ischemia [Disease/Finding] Enterobius vermicularis Infection @@ -232471,13 +257251,13 @@ This interpretation is *not* the same as an at-all-times relation Infection, Oxyuris vermicularis 1023562 266162007 - Enterobiasis [Disease/Finding] C0086227 + Enterobiasis [Disease/Finding] Enterobiasis N0000003557 M0026142 - D017229 360419005 + D017229 Enterobiasis @@ -232487,9 +257267,9 @@ This interpretation is *not* the same as an at-all-times relation M0026469 Vascular Skin Diseases 1024271 + C7334 Skin Diseases, Vascular Skin Diseases, Vascular [Disease/Finding] - C7334 N0000003578 C0162819 @@ -232497,8 +257277,8 @@ This interpretation is *not* the same as an at-all-times relation 11263005 - A heterogeneous group of disorders with the common feature of prolonged eosinophilia of unknown cause and associated organ system dysfunction, including the heart, central nervous system, kidneys, lungs, gastrointestinal tract, and skin. There is a massive increase in the number of eosinophils in the blood, mimicking leukemia, and extensive eosinophilic infiltration of the various organs. It is often referred to as idiopathic. N0000003620 + A heterogeneous group of disorders with the common feature of prolonged eosinophilia of unknown cause and associated organ system dysfunction, including the heart, central nervous system, kidneys, lungs, gastrointestinal tract, and skin. There is a massive increase in the number of eosinophils in the blood, mimicking leukemia, and extensive eosinophilic infiltration of the various organs. It is often referred to as idiopathic. C1540912 Hypereosinophilic Syndrome @@ -232514,29 +257294,29 @@ This interpretation is *not* the same as an at-all-times relation N0000003803 Pneumovirus infections caused by the RESPIRATORY SYNCYTIAL VIRUSES. Humans and cattle are most affected but infections in goats and sheep have been reported. - Respiratory Syncytial Virus Infections D018357 + Respiratory Syncytial Virus Infections Respiratory Syncytial Virus Infections C0035235 986730 - Infections, Respiratory Syncytial Virus M0027589 - Respiratory Syncytial Virus Infections [Disease/Finding] + Infections, Respiratory Syncytial Virus C7784 + Respiratory Syncytial Virus Infections [Disease/Finding] 55735004 1024535 N0000003804 C0206754 + Neuroendocrine Tumors Neuroendocrine Tumors [Disease/Finding] Tumors whose cells possess secretory granules and originate from the neuroectoderm, i.e., the cells of the ectoblast or epiblast that program the neuroendocrine system. Common properties across most neuroendocrine tumors include ectopic hormone production (often via APUD CELLS), the presence of tumor-associated antigens, and isozyme composition. - Neuroendocrine Tumors - M0027590 255046005 + M0027590 D018358 - Neuroendocrine Tumors C7786 + Neuroendocrine Tumors @@ -232559,13 +257339,13 @@ This interpretation is *not* the same as an at-all-times relation N0000003954 INFLAMMATION of the LIVER in humans that is caused by HEPATITIS C VIRUS lasting six months or more. Chronic hepatitis C can lead to LIVER CIRRHOSIS. C0524910 - Chronic Hepatitis C Hepatitis C, Chronic [Disease/Finding] + Chronic Hepatitis C M0029252 D019698 - Hepatitis C, Chronic Hepatitis C, Chronic + Hepatitis C, Chronic 1025809 C8086 128302006 @@ -232587,8 +257367,8 @@ This interpretation is *not* the same as an at-all-times relation C8128 Mood Disorders [Disease/Finding] C0525045 - N0000003975 Affective Disorders + N0000003975 Those disorders that have a disturbance in mood as their predominant feature. D019964 @@ -232620,17 +257400,17 @@ This interpretation is *not* the same as an at-all-times relation N0000004074 C0042487 - Venous Thrombosis Thrombosis, Venous + Venous Thrombosis C8326 - M0029908 - Phlebothrombosis 111293003 + Phlebothrombosis + M0029908 The formation or presence of a blood clot (THROMBUS) within a vein. Venous Thrombosis [Disease/Finding] Venous Thrombosis - 1023173 + 1023173 18266009 D020246 @@ -232641,8 +257421,8 @@ This interpretation is *not* the same as an at-all-times relation Intracranial Hemorrhages Bleeding within the SKULL, including hemorrhages in the brain and the three membranes of MENINGES. The escape of blood often leads to the formation of HEMATOMA in the cranial epidural, subdural, and subarachnoid spaces. - Hemorrhage, Intracranial C0151699 + Hemorrhage, Intracranial Intracranial Hemorrhages [Disease/Finding] N0000004102 1386000 @@ -232669,9 +257449,9 @@ This interpretation is *not* the same as an at-all-times relation C0007004 M0003360 Carbohydrates - C21790 The largest class of organic compounds, including STARCH; GLYCOGEN; CELLULOSE; POLYSACCHARIDES; and simple MONOSACCHARIDES. Carbohydrates are composed of carbon, hydrogen, and oxygen in a ratio of Cn(H2O)n. + Carbohydrates Carbohydrates [Chemical/Ingredient] N0000005723 @@ -232687,9 +257467,9 @@ This interpretation is *not* the same as an at-all-times relation Amiodarone [Chemical/Ingredient] Amiodarone + Amiodarone D000638 C0002598 - Amiodarone Amiodarone @@ -232714,8 +257494,8 @@ This interpretation is *not* the same as an at-all-times relation Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)- N0000005903 - 3407 C0012265 + 3407 M0006386 C22150 A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666) @@ -232727,15 +257507,15 @@ This interpretation is *not* the same as an at-all-times relation 6-Mercaptopurine M0023263 N0000006010 - 103 6-Thiohypoxanthine + 103 mercaptopurine Mercaptopurine 6-Thiopurine C22364 + 6-Mercaptopurine An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia. - 6-Mercaptopurine 1,7-Dihydro-6H-purine-6-thione C0000618 D015122 @@ -232743,22 +257523,22 @@ This interpretation is *not* the same as an at-all-times relation A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children. - Nelfinavir D019888 + Nelfinavir Nelfinavir M0029531 C22438 134527 Nelfinavir + Nelfinavir [Chemical/Ingredient] C0525005 - N0000006047 Bepridil - Bepridil [Chemical/Ingredient] D015764 + Bepridil [Chemical/Ingredient] A long-acting calcium-blocking agent with significant anti-anginal activity. The drug produces significant coronary vasodilation and modest peripheral effects. It has antihypertensive and selective anti-arrhythmia activities and acts as a calmodulin antagonist. C0005116 @@ -232767,8 +257547,8 @@ This interpretation is *not* the same as an at-all-times relation 1436 N0000006461 M0024153 - 1-Pyrrolidineethanamine, beta-((2-methylpropoxy)methyl)-N-phenyl-N-(phenylmethyl)- C23270 + 1-Pyrrolidineethanamine, beta-((2-methylpropoxy)methyl)-N-phenyl-N-(phenylmethyl)- Cisapride [Chemical/Ingredient] @@ -232780,15 +257560,15 @@ This interpretation is *not* the same as an at-all-times relation A substituted benzamide used for its prokinetic properties. It is used in the management of gastroesophageal reflux disease, functional dyspepsia, and other disorders associated with impaired gastrointestinal motility. (Martindale The Extra Pharmacopoeia, 31st ed) N0000006590 C0072916 - M0029858 Cisapride + M0029858 Cisapride Benzamide, 4-amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxy -4-piperidinyl)-2-methoxy-, cis- Reserpine [Chemical/Ingredient] - An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use. Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)- + An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use. Reserpine Reserpine D012110 @@ -232796,8 +257576,8 @@ This interpretation is *not* the same as an at-all-times relation N0000006632 C23612 - M0018861 C0035179 + M0018861 9260 @@ -232805,8 +257585,8 @@ This interpretation is *not* the same as an at-all-times relation C0033429 Propafenone [Chemical/Ingredient] - Propafenone Propafenone + Propafenone Propafenone 8754 An antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It also has weak beta-blocking activity. The drug is generally well tolerated. @@ -232817,13 +257597,13 @@ This interpretation is *not* the same as an at-all-times relation - D019438 C0292818 + D019438 Ritonavir [Chemical/Ingredient] N0000007423 An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. - 85762 M0028918 + 85762 Ritonavir Ritonavir C25198 @@ -232833,13 +257613,13 @@ This interpretation is *not* the same as an at-all-times relation Pyrido(4,3-b)Indoles Carbolines [Chemical/Ingredient] D002243 - A group of pyrido-indole compounds. Included are any points of fusion of pyridine with the five-membered ring of indole and any derivatives of these compounds. These are similar to CARBAZOLES which are benzo-indoles. M0003364 + A group of pyrido-indole compounds. Included are any points of fusion of pyridine with the five-membered ring of indole and any derivatives of these compounds. These are similar to CARBAZOLES which are benzo-indoles. N0000007499 C0007007 - Carbolines C25354 + Carbolines 2030 Carbolines @@ -232857,15 +257637,15 @@ This interpretation is *not* the same as an at-all-times relation Organic nitrogenous bases. Many alkaloids of medical importance occur in the animal and vegetable kingdoms, and some have been synthesized. (Grant & Hackh's Chemical Dictionary, 5th ed) - Anilides [Chemical/Ingredient] Anilides + Anilides [Chemical/Ingredient] C0003035 N0000007515 D000813 Anilides - C25386 842 + C25386 M0001214 @@ -232886,21 +257666,21 @@ This interpretation is *not* the same as an at-all-times relation 586370 C25414 Macrolides [Chemical/Ingredient] - N0000007529 M0028311 + N0000007529 Macrolides - D018942 - C0282563 Macrolides + C0282563 + D018942 M0020345 C0037968 - Spiro Compounds Spiro Compounds [Chemical/Ingredient] + Spiro Compounds D013141 - Spiro Compounds A group of compounds consisting in part of two rings sharing one carbon atom in common. + Spiro Compounds 9993 N0000007532 C25420 @@ -232910,14 +257690,14 @@ This interpretation is *not* the same as an at-all-times relation C25428 Compounds with a BENZENE fused to IMIDAZOLES. 1396 - Benzimidazoles Benzimidazoles + Benzimidazoles N0000007536 M0002348 C0005050 - D001562 Benzimidazoles [Chemical/Ingredient] + D001562 Pyridines @@ -232946,17 +257726,17 @@ This interpretation is *not* the same as an at-all-times relation Amides of salicylic acid. - 9521 N0000007578 + 9521 2-Hydroxy-N-phenylbenzamides. N-phenyl substituted salicylamides. Derivatives have been used as fungicides, anti-mildew agents and topical antifungal agents. In concentrated form may cause irritation of skin and mucous membranes. M0019361 C25512 - C0036074 + C0036074 N-Phenylsalicylamides + Salicylanilides D012458 Salicylanilides [Chemical/Ingredient] - Salicylanilides Salicylanilides @@ -232968,29 +257748,29 @@ This interpretation is *not* the same as an at-all-times relation M0018277 Pyrrolidines N0000007593 - Pyrrolidines D011759 + Pyrrolidines Ergotamines M0007665 A series of structurally-related alkaloids containing the ergotaman backbone structure. - Ergotamines Ergotamines [Chemical/Ingredient] + Ergotamines - C0014711 4026 + C0014711 N0000007621 D004879 C25602 - D000146 Acids, Carbocyclic + D000146 Acids, Carbocyclic [Chemical/Ingredient] Carbocyclic Acids - C25616 233 + C25616 N0000007628 Acids, Carbocyclic C0001131 @@ -233001,12 +257781,12 @@ This interpretation is *not* the same as an at-all-times relation M0012175 6209 - Lactones Lactones + Lactones D007783 N0000007646 - Lactones [Chemical/Ingredient] C0022947 + Lactones [Chemical/Ingredient] Cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure. Large cyclic lactones of over a dozen atoms are MACROLIDES. C25652 @@ -233025,11 +257805,11 @@ This interpretation is *not* the same as an at-all-times relation Organic Chemicals + Amides [Chemical/Ingredient] C0002482 N0000007681 - Amides [Chemical/Ingredient] - C25722 D000577 + C25722 Amides Amides Organic compounds containing the -CO-NH2 radical. Amides are derived from acids by replacement of -OH by -NH2 or from ammonia by the replacement of H by an acyl group. (From Grant & Hackh's Chemical Dictionary, 5th ed) @@ -233040,28 +257820,28 @@ This interpretation is *not* the same as an at-all-times relation N0000007720 10072 - Steroids [Chemical/Ingredient] D013256 + Steroids [Chemical/Ingredient] C25800 + A group of polycyclic compounds closely related biochemically to TERPENES. They include cholesterol, numerous hormones, precursors of certain vitamins, bile acids, alcohols (STEROLS), and certain natural drugs and poisons. Steroids have a common nucleus, a fused, reduced 17-carbon atom ring system, cyclopentanoperhydrophenanthrene. Most steroids also have two methyl groups and an aliphatic side-chain attached to the nucleus. (From Hawley's Condensed Chemical Dictionary, 11th ed) M0020527 Steroids - A group of polycyclic compounds closely related biochemically to TERPENES. They include cholesterol, numerous hormones, precursors of certain vitamins, bile acids, alcohols (STEROLS), and certain natural drugs and poisons. Steroids have a common nucleus, a fused, reduced 17-carbon atom ring system, cyclopentanoperhydrophenanthrene. Most steroids also have two methyl groups and an aliphatic side-chain attached to the nucleus. (From Hawley's Condensed Chemical Dictionary, 11th ed) C0038317 Steroids - C25816 Cinchonan-9-ol, 6'-methoxy-, (9S)- + C25816 9068 N0000007728 Chinidin C0034414 M0018341 - An optical isomer of quinine, extracted from the bark of the Cinchona tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular action potential, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission. Quinidine D011802 + An optical isomer of quinine, extracted from the bark of the Cinchona tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular action potential, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission. Quinidine Quinidine Quinidine [Chemical/Ingredient] @@ -233080,8 +257860,8 @@ This interpretation is *not* the same as an at-all-times relation D007093 - C25910 Furans + C25910 Furans [Chemical/Ingredient] M0008898 4600 @@ -233094,15 +257874,15 @@ This interpretation is *not* the same as an at-all-times relation C0002526 + C26026 D000602 - C26026 N0000007833 Amino Acids, Peptides, and Proteins [Chemical/Ingredient] Amino acids and chains of amino acids connected by peptide linkages. Amino Acids, Peptides, and Proteins - 664 Amino Acids, Peptides, and Proteins + 664 M0000928 @@ -233120,22 +257900,22 @@ This interpretation is *not* the same as an at-all-times relation C26110 - N0000007875 Peptides, Cyclic - M0016239 + N0000007875 + M0016239 Cyclic Peptides - Peptides, Cyclic [Chemical/Ingredient] Peptides, Cyclic + Peptides, Cyclic [Chemical/Ingredient] Peptides whose amino and carboxy ends are linked together with a peptide bond forming a circular chain. Some of them are ANTI-INFECTIVE AGENTS. Some of them are biosynthesized non-ribosomally (PEPTIDE BIOSYNTHESIS, NON-RIBOSOMAL). + C0030957 8037 D010456 - C0030957 M0009500 - 4958 Glycosides + 4958 C26154 C0017977 Any compound that contains a constituent sugar, in which the hydroxyl group attached to the first carbon is substituted by an alcoholic, phenolic, or other group. They are named specifically for the sugar contained, such as glucoside (glucose), pentoside (pentose), fructoside (fructose), etc. Upon hydrolysis, a sugar and nonsugar component (aglycone) are formed. (From Dorland, 28th ed; From Miall's Dictionary of Chemistry, 5th ed) @@ -233152,19 +257932,19 @@ This interpretation is *not* the same as an at-all-times relation 8343 D010880 - C0031960 N0000007929 + C0031960 Piperidines [Chemical/Ingredient] C26220 M0016885 - N0000007930 - 8344 M0016886 Piperidones [Chemical/Ingredient] - C26222 + N0000007930 + 8344 Piperidones + C26222 C0031961 D010881 @@ -233193,14 +257973,14 @@ This interpretation is *not* the same as an at-all-times relation C26446 D013438 N0000008041 - Sulfhydryl Compounds Sulfhydryl Compounds + Sulfhydryl Compounds Compounds containing the -SH radical. Sulfhydryl Compounds [Chemical/Ingredient] - N0000008052 M0011238 + N0000008052 Indoles 5779 Benzopyrroles with the nitrogen at the number one carbon adjacent to the benzyl portion, in contrast to ISOINDOLES which have the nitrogen away from the six-membered ring. @@ -233214,23 +257994,23 @@ This interpretation is *not* the same as an at-all-times relation Cinnamates C26484 - C0008801 + C0008801 N0000008060 Cinnamates - D002934 - Cinnamates [Chemical/Ingredient] 2547 + Cinnamates [Chemical/Ingredient] + D002934 M0004490 D011687 - Purines C0034140 + Purines Purines [Chemical/Ingredient] N0000008065 - 8952 M0018169 + 8952 A series of heterocyclic compounds that are variously substituted in nature and are known also as purine bases. They include ADENINE and GUANINE, constituents of nucleic acids, as well as many alkaloids such as CAFFEINE and THEOPHYLLINE. Uric acid is the metabolic end product of purine metabolism. Purines C26494 @@ -233241,21 +258021,21 @@ This interpretation is *not* the same as an at-all-times relation 5283 D006571 M0010290 - C0019398 Heterocyclic Compounds N0000008095 + C0019398 C26554 - Heterocyclic Compounds Ring compounds having atoms other than carbon in their nuclei. (Grant & Hackh's Chemical Dictionary, 5th ed) + Heterocyclic Compounds D006575 5286 C26556 - Heterocyclic Compounds, 3-Ring [Chemical/Ingredient] C0019401 + Heterocyclic Compounds, 3-Ring [Chemical/Ingredient] A class of organic compounds containing three ring structures, one of which is made up of more than one kind of atom, usually carbon plus another atom. The heterocycle may be either aromatic or nonaromatic Heterocyclic Compounds, 3-Ring N0000008096 @@ -233299,15 +258079,15 @@ This interpretation is *not* the same as an at-all-times relation M0003451 N0000008157 Cardiac Glycosides - C26678 Cardiac Glycosides + C26678 C0007158 N0000008164 A major group of unsaturated cyclic hydrocarbons containing two or more rings. The vast number of compounds of this important group, derived chiefly from petroleum and coal tar, are rather highly reactive and chemically versatile. The name is due to the strong and not unpleasant odor characteristic of most substances of this nature. (From Hawley's Condensed Chemical Dictionary, 12th ed, p96) - C26692 Polycyclic Hydrocarbons, Aromatic [Chemical/Ingredient] + C26692 C0032458 8504 Polynuclear Aromatic Hydrocarbons @@ -233328,29 +258108,29 @@ This interpretation is *not* the same as an at-all-times relation Azoles 1269 Azoles - D001393 C0004504 + D001393 Hydrocarbons, Aromatic C0020245 N0000008229 C26822 - D006841 Organic compounds containing carbon and hydrogen in the form of an unsaturated, usually hexagonal ring structure. The compounds can be single ring, or double, triple, or multiple fused rings. - Hydrocarbons, Aromatic [Chemical/Ingredient] + D006841 + Hydrocarbons, Aromatic [Chemical/Ingredient] Aromatic Hydrocarbons M0010690 5479 Hydrocarbons, Aromatic - Sulfur Compounds C0038776 + Sulfur Compounds N0000008249 - C26862 + 10225 D013457 Sulfur Compounds [Chemical/Ingredient] @@ -233372,15 +258152,15 @@ This interpretation is *not* the same as an at-all-times relation Inorganic Chemicals - Heterocyclic Cpds, 1-Ring M0010292 + Heterocyclic Cpds, 1-Ring 5284 Heterocyclic Compounds, 1-Ring D006573 - N0000008259 C0019399 - Heterocyclic Compounds, 1-Ring + N0000008259 C26882 + Heterocyclic Compounds, 1-Ring Heterocyclic Compounds, 1-Ring [Chemical/Ingredient] A class of organic compounds containing a ring structure made up of more than one kind of atom, usually carbon plus another atom. The ring structure can be aromatic or nonaromatic. @@ -233390,12 +258170,12 @@ This interpretation is *not* the same as an at-all-times relation Heterocyclic Compounds, 2-Ring C0019400 5285 - C26884 - N0000008260 + + C26884 A class of organic compounds containing two ring structures, one of which is made up of more than one kind of atom, usually carbon plus another atom. The heterocycle may be either aromatic or nonaromatic. - Heterocyclic Compounds, 2-Ring [Chemical/Ingredient] Heterocyclic Compounds, 2-Ring + Heterocyclic Compounds, 2-Ring [Chemical/Ingredient] D006574 @@ -233409,15 +258189,15 @@ This interpretation is *not* the same as an at-all-times relation D006844 5482 N0000008280 - Hydrocarbons, Cyclic C26926 + Hydrocarbons, Cyclic 985660 N0000008369 C1371319 - C27104 + Conduction System Depolarization [PE] Conduction System Depolarization @@ -233450,8 +258230,8 @@ This interpretation is *not* the same as an at-all-times relation Decreased Sympathetic Norepinephrine Activity - C28350 986379 + C28350 Decreased Sympathetic Norepinephrine Activity [PE] C2267207 N0000008992 @@ -233469,8 +258249,8 @@ This interpretation is *not* the same as an at-all-times relation C29844 Lipid Metabolism Alteration [PE] - N0000009739 987514 + N0000009739 Lipid Metabolism Alteration C0548934 @@ -233490,8 +258270,8 @@ This interpretation is *not* the same as an at-all-times relation 987311 N0000009759 - Nervous System Activity Alteration Nervous System Activity Alteration [PE] + Nervous System Activity Alteration @@ -233513,8 +258293,8 @@ This interpretation is *not* the same as an at-all-times relation - C29982 987259 + C29982 Positive Chronotropy N0000009808 Positive Chronotropy [PE] @@ -233548,13 +258328,13 @@ This interpretation is *not* the same as an at-all-times relation - Pregnancy N0000010195 + Pregnancy C31746 Pregnancy [Disease/Finding] - 1022794 C0032961 + 1022794 289908002 @@ -233563,8 +258343,8 @@ This interpretation is *not* the same as an at-all-times relation N0000010203 1023674 - Infant Infant [Disease/Finding] + Infant 133931009 @@ -233573,8 +258353,8 @@ This interpretation is *not* the same as an at-all-times relation C31768 1025000 - C0008059 Child [Disease/Finding] + C0008059 Child @@ -233601,8 +258381,8 @@ This interpretation is *not* the same as an at-all-times relation C288626 N0000010582 - 987399 Drug Products by Generic Ingredient Combinations + 987399 C2267084 Drug Products by Generic Ingredient Combinations @@ -233610,8 +258390,8 @@ This interpretation is *not* the same as an at-all-times relation N0000010583 C2267085 - C288627 989498 + C288627 A [Preparations] A [Preparations] @@ -233628,16 +258408,16 @@ This interpretation is *not* the same as an at-all-times relation C288629 C [Preparations] - 987820 C2267087 + 987820 N0000010585 C [Preparations] 990856 - D [Preparations] C2267088 + D [Preparations] N0000010586 C288630 D [Preparations] @@ -233646,14 +258426,14 @@ This interpretation is *not* the same as an at-all-times relation C288631 E [Preparations] - N0000010587 984666 + N0000010587 E [Preparations] C2267089 - C288632 F [Preparations] + C288632 N0000010588 C2267090 986610 @@ -233681,10 +258461,10 @@ This interpretation is *not* the same as an at-all-times relation N0000010591 C288635 - I [Preparations] - C2267092 + I [Preparations] + C2267092 987875 @@ -233726,8 +258506,8 @@ This interpretation is *not* the same as an at-all-times relation C288644 C2267100 - N0000010600 + R [Preparations] R [Preparations] 987269 @@ -233737,20 +258517,20 @@ This interpretation is *not* the same as an at-all-times relation C2267102 N0000010602 - C288646 989806 + C288646 T [Preparations] C291490 - Myocardiopathies Cardiomyopathies [Disease/Finding] + Myocardiopathies Myocardial Diseases D009202 1025008 M0014337 - N0000011137 57809008 + N0000011137 85898001 Cardiomyopathies Cardiomyopathies @@ -233760,8 +258540,8 @@ This interpretation is *not* the same as an at-all-times relation M0377033 - Indole Alkaloids Group of alkaloids containing a benzylpyrrole group (derived from TRYPTOPHAN) + Indole Alkaloids C0949738 N0000011188 Indole Alkaloids [Chemical/Ingredient] @@ -233773,23 +258553,23 @@ This interpretation is *not* the same as an at-all-times relation M0456185 - C1449665 Macrocyclic Compounds D047028 + C1449665 Macrocycle Compounds - Cyclic compounds with a ring size of approximately 1-4 dozen atoms. 469970 + Cyclic compounds with a ring size of approximately 1-4 dozen atoms. N0000011330 Macrocyclic Compounds [Chemical/Ingredient] C291686 - Macrocyclic Compounds + Compounds consisting of two or more fused ring structures. Polycyclic Compounds - D011083 M0017162 + D011083 8502 N0000011331 Polycyclic Compounds [Chemical/Ingredient] @@ -233800,8 +258580,8 @@ This interpretation is *not* the same as an at-all-times relation INTERFERON ALFA-2A - C0021734 Interferon Alfa-2a + C0021734 Ingredient INTERFERON ALFA-2A 4022121 @@ -233813,14 +258593,14 @@ This interpretation is *not* the same as an at-all-times relation N0000020127 - <VANDF_Record>50.6^3161^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>3161</VA_IEN> C0035629 + <VANDF_Record>50.6^3161^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>3161</VA_IEN> RIMANTADINE Active - N0000021902 9386 - RIMANTADINE + N0000021902 Rimantadine + RIMANTADINE C19566 4023897 @@ -233829,8 +258609,8 @@ This interpretation is *not* the same as an at-all-times relation 72257 4023900 - Active + C0244713 <VANDF_Record>50.6^3172^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>3172</VA_IEN> INTERFERON BETA-1B @@ -233841,22 +258621,22 @@ This interpretation is *not* the same as an at-all-times relation interferon beta-1b - C0045093 12574 - Active + C0045093 <VANDF_Record>50.6^3358^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>3358</VA_IEN> + Active - gemcitabine GEMCITABINE + gemcitabine + GEMCITABINE C15022 4024031 - GEMCITABINE N0000022036 Ingredient - NELFINAVIR 134527 + NELFINAVIR 4024050 Ingredient @@ -233872,9 +258652,9 @@ This interpretation is *not* the same as an at-all-times relation Active Ingredient <VANDF_Record>50.6^3476^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>3476</VA_IEN> + Toremifene 4024102 TOREMIFENE - Toremifene C0076836 TOREMIFENE 38409 @@ -233892,8 +258672,8 @@ This interpretation is *not* the same as an at-all-times relation <VANDF_Record>50.416^3642^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>3642</VA_IEN> 236234 U347PV74IL - 4020975 N0000022977 + 4020975 Ingredient GEMCITABINE HYDROCHLORIDE @@ -233905,19 +258685,19 @@ This interpretation is *not* the same as an at-all-times relation N0000145817 DIGITOXIN C13764 - DIGITOXIN + Active - <VANDF_Record>50.6^9^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>9</VA_IEN> E90NZP2L9U + <VANDF_Record>50.6^9^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>9</VA_IEN> 4017429 C0012258 <VANDF_Record>50.416^98^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>98</VA_IEN> Ingredient - RESERPINE 8B1QWR724A + RESERPINE <VANDF_Record>50.6^57^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>57</VA_IEN> Active C19522 @@ -233926,12 +258706,12 @@ This interpretation is *not* the same as an at-all-times relation 4017506 C0035179 N0000145891 - 9260 RESERPINE + 9260 - HYDROXYPROGESTERONE CAPROATE 12488 + HYDROXYPROGESTERONE CAPROATE Active <VANDF_Record>50.416^207^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>207</VA_IEN> N0000145993 @@ -233951,8 +258731,8 @@ This interpretation is *not* the same as an at-all-times relation Fluphenazine Hydrochloride N0000146092 Ingredient - 4017723 <VANDF_Record>50.416^318^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>318</VA_IEN> + 4017723 C0700567 203207 @@ -233962,8 +258742,8 @@ This interpretation is *not* the same as an at-all-times relation Ingredient TRIFLUPROMAZINE HYDROCHLORIDE - 4017744 + 4017744 C0304376 <VANDF_Record>50.416^339^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>339</VA_IEN> C21136 @@ -233976,8 +258756,8 @@ This interpretation is *not* the same as an at-all-times relation Ingredient - BENZTROPINE MESYLATE 18927 + BENZTROPINE MESYLATE WMJ8TL7510 N0000146182 C0053156 @@ -233995,9 +258775,9 @@ This interpretation is *not* the same as an at-all-times relation 4017846 Active PROMETHAZINE HYDROCHLORIDE - R61ZEH7I1I 142445 PROMETHAZINE HYDROCHLORIDE + R61ZEH7I1I Ingredient C0546876 Promethazine Hydrochloride @@ -234011,8 +258791,8 @@ This interpretation is *not* the same as an at-all-times relation CHLORPROMAZINE HYDROCHLORIDE N0000146213 - 4017860 104728 + 4017860 C12754 CHLORPROMAZINE HYDROCHLORIDE Ingredient @@ -234030,8 +258810,8 @@ This interpretation is *not* the same as an at-all-times relation Active 2403 CHLORPROMAZINE - Ingredient Chlorpromazine + Ingredient 4017861 C12752 @@ -234072,8 +258852,8 @@ This interpretation is *not* the same as an at-all-times relation 20863 Ingredient C0055447 - 6E17K3343P C12714 + 6E17K3343P CHLOROQUINE PHOSPHATE 4018228 @@ -234086,15 +258866,15 @@ This interpretation is *not* the same as an at-all-times relation 5293 <VANDF_Record>50.6^557^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>557</VA_IEN> <VANDF_Record>50.416^850^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>850</VA_IEN> - HEXACHLOROPHENE + HEXACHLOROPHENE C15398 Active 4018252 Hexachlorophene IWW5FV6NK2 - N0000146582 C0019435 + N0000146582 Ingredient HEXACHLOROPHENE @@ -234116,8 +258896,8 @@ This interpretation is *not* the same as an at-all-times relation C0028017 4018264 - N0000146594 + C17666 8KK8CQ2K8G NICLOSAMIDE @@ -234125,8 +258905,8 @@ This interpretation is *not* the same as an at-all-times relation <VANDF_Record>50.416^862^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>862</VA_IEN> 7402 NICLOSAMIDE - Niclosamide Active + Niclosamide <VANDF_Record>50.6^573^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>573</VA_IEN> @@ -234135,8 +258915,8 @@ This interpretation is *not* the same as an at-all-times relation Ingredient Active 7FRV7310N6 - 4018462 TAMOXIFEN CITRATE + 4018462 Tamoxifen Citrate 40137 @@ -234162,8 +258942,8 @@ This interpretation is *not* the same as an at-all-times relation 91235 - <VANDF_Record>50.416^1508^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>1508</VA_IEN> DIGITALIS + <VANDF_Record>50.416^1508^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>1508</VA_IEN> C13756 Active C0304520 @@ -234213,27 +258993,27 @@ This interpretation is *not* the same as an at-all-times relation 9344 RIBAVIRIN RIBAVIRIN - Active <VANDF_Record>50.6^1909^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>1909</VA_IEN> + Active N0000147496 - 4019299 C19534 + 4019299 Ribavirin Ingredient C0035525 - Ingredient ASTEMIZOLE + Ingredient <VANDF_Record>50.6^1989^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>1989</VA_IEN> C11390 ASTEMIZOLE - 42328 <VANDF_Record>50.416^1992^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>1992</VA_IEN> + 42328 Astemizole - N0000147536 + N0000147536 Active 4019379 C0085170 @@ -234241,15 +259021,15 @@ This interpretation is *not* the same as an at-all-times relation CLOMIPRAMINE HYDROCHLORIDE C12984 - 81984 C0282107 + 81984 <VANDF_Record>50.416^2106^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>2106</VA_IEN> Clomipramine Hydrochloride 2LXW0L6GWJ Ingredient CLOMIPRAMINE HYDROCHLORIDE - N0000147612 + N0000147612 4019492 Active @@ -234261,12 +259041,12 @@ This interpretation is *not* the same as an at-all-times relation Ingredient 4019521 - C20680 C0076115 + C20680 TERCONAZOLE - N0000147638 - <VANDF_Record>50.6^2169^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>2169</VA_IEN> Active + <VANDF_Record>50.6^2169^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>2169</VA_IEN> + N0000147638 <VANDF_Record>50.416^2136^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>2136</VA_IEN> @@ -234286,39 +259066,39 @@ This interpretation is *not* the same as an at-all-times relation - Benztropine <VANDF_Record>50.416^2249^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>2249</VA_IEN> + Benztropine BENZTROPINE Ingredient <VANDF_Record>50.6^190^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>190</VA_IEN> - BENZTROPINE N0000147723 + BENZTROPINE Active C0005098 4019630 C11660 - 1424 + 1NHL2J4X8K - Cetylpyridinium - 2286 - CETYLPYRIDINIUM Ingredient C0007906 + 2286 + Cetylpyridinium + CETYLPYRIDINIUM N0000147763 - <VANDF_Record>50.416^2290^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>2290</VA_IEN> CETYLPYRIDINIUM - C12608 + <VANDF_Record>50.416^2290^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>2290</VA_IEN> Active + C12608 4019671 Active - <VANDF_Record>50.6^529^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>529</VA_IEN> C12708 + <VANDF_Record>50.6^529^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>529</VA_IEN> Ingredient CHLOROQUINE C0008269 @@ -234328,8 +259108,8 @@ This interpretation is *not* the same as an at-all-times relation 2393 CHLOROQUINE <VANDF_Record>50.416^2294^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>2294</VA_IEN> - N0000147767 Chloroquine + N0000147767 CLOMIPRAMINE @@ -234337,8 +259117,8 @@ This interpretation is *not* the same as an at-all-times relation 4019687 C0009010 <VANDF_Record>50.416^2306^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>2306</VA_IEN> - N0000147779 2597 + N0000147779 CLOMIPRAMINE Clomipramine Active @@ -234350,8 +259130,8 @@ This interpretation is *not* the same as an at-all-times relation EMETINE <VANDF_Record>50.416^2362^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>2362</VA_IEN> - <VANDF_Record>50.6^31^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>31</VA_IEN> 3820 + <VANDF_Record>50.6^31^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>31</VA_IEN> Ingredient X8D5EPO80M Emetine @@ -234374,10 +259154,10 @@ This interpretation is *not* the same as an at-all-times relation FLUPHENAZINE N0000147853 Ingredient - FLUPHENAZINE Active - 4019762 + FLUPHENAZINE + 4019762 C15568 @@ -234391,8 +259171,8 @@ This interpretation is *not* the same as an at-all-times relation <VANDF_Record>50.416^2403^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>2403</VA_IEN> HYDROXYCHLOROQUINE Ingredient - 4019780 Active + 4019780 @@ -234419,8 +259199,8 @@ This interpretation is *not* the same as an at-all-times relation N0000147893 Ingredient 4019804 - 6X9OC3H4II LOPERAMIDE + 6X9OC3H4II <VANDF_Record>50.416^2427^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>2427</VA_IEN> <VANDF_Record>50.6^1766^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>1766</VA_IEN> 6468 @@ -234437,8 +259217,8 @@ This interpretation is *not* the same as an at-all-times relation <VANDF_Record>50.6^2143^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>2143</VA_IEN> Active N0000147900 - 6694 MEFLOQUINE + 6694 Mefloquine Ingredient @@ -234448,14 +259228,14 @@ This interpretation is *not* the same as an at-all-times relation PHENAZOPYRIDINE Ingredient <VANDF_Record>50.416^2509^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>2509</VA_IEN> - 8120 C0031379 + 8120 N0000147969 Active Phenazopyridine PHENAZOPYRIDINE - K2J09EMJ52 4019884 + K2J09EMJ52 @@ -234470,8 +259250,8 @@ This interpretation is *not* the same as an at-all-times relation PROMETHAZINE <VANDF_Record>50.416^2535^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>2535</VA_IEN> N0000147995 - C0033405 <VANDF_Record>50.6^214^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>214</VA_IEN> + C0033405 Promethazine @@ -234565,25 +259345,25 @@ This interpretation is *not* the same as an at-all-times relation mycophenolate mofetil MYCOPHENOLATE MOFETIL 4020921 - 9242ECW6R0 <VANDF_Record>50.416^3581^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>3581</VA_IEN> + 9242ECW6R0 Ingredient 68149 - RITONAVIR Active + RITONAVIR 4020963 85762 Ingredient - <VANDF_Record>50.416^3629^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>3629</VA_IEN> C19590 + <VANDF_Record>50.416^3629^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>3629</VA_IEN> Ritonavir O3J8G9O825 RITONAVIR - C0292818 <VANDF_Record>50.6^3349^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>3349</VA_IEN> + C0292818 N0000148436 @@ -234592,9 +259372,9 @@ This interpretation is *not* the same as an at-all-times relation C18312 59839 - C0164815 penciclovir <VANDF_Record>50.416^3659^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>3659</VA_IEN> + C0164815 359HUE8FJC PENCICLOVIR <VANDF_Record>50.6^3378^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>3378</VA_IEN> @@ -234634,8 +259414,8 @@ This interpretation is *not* the same as an at-all-times relation <VANDF_Record>50.416^3714^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>3714</VA_IEN> - Active Toremifene Citrate + Active TOREMIFENE CITRATE C0117339 4021088 @@ -234656,10 +259436,10 @@ This interpretation is *not* the same as an at-all-times relation 2494G1JF75 4021228 <VANDF_Record>50.416^3900^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>3900</VA_IEN> - LOPINAVIR C16616 - 195088 + LOPINAVIR Active + 195088 LOPINAVIR @@ -234672,16 +259452,16 @@ This interpretation is *not* the same as an at-all-times relation IMATINIB Ingredient C53876 + BKJ8M8G5HI <VANDF_Record>50.416^3929^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>3929</VA_IEN> IMATINIB - BKJ8M8G5HI Active imatinib <VANDF_Record>50.6^3696^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>3696</VA_IEN> - 284924 C53880 + 284924 N0000148699 Imatinib mesylate @@ -234711,8 +259491,8 @@ This interpretation is *not* the same as an at-all-times relation - MYCOPHENOLIC ACID Ingredient + MYCOPHENOLIC ACID <VANDF_Record>50.416^4095^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>4095</VA_IEN> HU9DX48N0T C273300 @@ -234721,8 +259501,8 @@ This interpretation is *not* the same as an at-all-times relation <VANDF_Record>50.6^3937^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>3937</VA_IEN> Active Mycophenolic Acid - MYCOPHENOLIC ACID + 4021418 C0026933 @@ -234744,9 +259524,9 @@ This interpretation is *not* the same as an at-all-times relation N0000166641 Cinanserin [Chemical/Ingredient] + 2-Propenamide, N-(2-((3-(dimethylamino)propyl)thio)phenyl)-3-phenyl- 2543 D002928 - 2-Propenamide, N-(2-((3-(dimethylamino)propyl)thio)phenyl)-3-phenyl- A serotonin antagonist with limited antihistaminic, anticholinergic, and immunosuppressive activity. C7757801986565 M0004484 @@ -234757,8 +259537,8 @@ This interpretation is *not* the same as an at-all-times relation M0015663 - C0030046 Oxyclozanide + C0030046 Benzamide, 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxy- Oxyclozanide Anthelmintic used in grazing animals for fasciola and cestode infestations. @@ -234770,9 +259550,9 @@ This interpretation is *not* the same as an at-all-times relation Oxyclozanide [Chemical/Ingredient] - C7758479301978 - Nocodazole [Chemical/Ingredient] N0000166936 + Nocodazole [Chemical/Ingredient] + C7758479301978 7497 Oncodazole @@ -234788,8 +259568,8 @@ This interpretation is *not* the same as an at-all-times relation Monensin [Chemical/Ingredient] N0000167131 C0026408 - M0014007 + 7026 C7758754814648 D008985 @@ -234798,39 +259578,39 @@ This interpretation is *not* the same as an at-all-times relation Monensin - 3,4-Pyrrolidinediol, 2-((4-methoxyphenyl)methyl)-, 3-acetate, (2R-(2alpha,3alpha,4beta))- C0003082 + 3,4-Pyrrolidinediol, 2-((4-methoxyphenyl)methyl)-, 3-acetate, (2R-(2alpha,3alpha,4beta))- C7758765830014 N0000167149 - An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system. + An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system. Anisomycin M0001251 Anisomycin - D000841 Anisomycin [Chemical/Ingredient] + D000841 857 D003513 - Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis. Cycloheximide + Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis. C7758827087800 - 2993 2,6-Piperidinedione, 4-(2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)-, (1S-(1alpha(S*),3alpha,5beta))- + 2993 M0005473 Cycloheximide [Chemical/Ingredient] Cycloheximide N0000167211 - C0010572 Cicloheximide + C0010572 Banisterine - Harmine Yageine Alkaloid isolated from seeds of Peganum harmala L., Zygophyllaceae. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic Parkinson disease in the 1920's. + Harmine D006247 Telepathine 5101 @@ -234840,21 +259620,21 @@ This interpretation is *not* the same as an at-all-times relation N0000167259 M0009805 - 9H-Pyrido(3,4-b)indole, 7-methoxy-1-methyl- - C0018605 Harmine [Chemical/Ingredient] + C0018605 + 9H-Pyrido(3,4-b)indole, 7-methoxy-1-methyl- - C0016383 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4,4-bis(4-fluorophenyl)butyl)-1-phenyl- + C0016383 A long-acting injectable antipsychotic agent used for chronic schizophrenia. M0008650 Fluspirilene [Chemical/Ingredient] D005484 4507 + C7758700772025 Fluspirilene N0000167366 - C7758700772025 Spirodiflamine Fluspirilene @@ -234864,8 +259644,8 @@ This interpretation is *not* the same as an at-all-times relation N0000167413 C0006350 - 1795 Bufanolides + 1795 C7759104670845 M0003002 Cyclopentanophenanthrenes with a 6-membered lactone ring attached at the 17-position and SUGARS attached at the 3-position. They are found in BUFONIDAE and often possess cardiotonic properties. @@ -234882,8 +259662,8 @@ This interpretation is *not* the same as an at-all-times relation C7758210287620 Oligomycin C0028951 - Oligomycins [Chemical/Ingredient] 7636 + Oligomycins [Chemical/Ingredient] D009840 M0015277 @@ -234891,8 +259671,8 @@ This interpretation is *not* the same as an at-all-times relation Proscillaridin D011442 A cardiotonic glycoside isolated from Scilla maritima var. alba (Squill). - Bufa-4,20,22-trienolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-14-hydroxy-, (3beta)- Proscillaridin + Bufa-4,20,22-trienolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-14-hydroxy-, (3beta)- 8795 Desglucotransvaaline Proscillaridin [Chemical/Ingredient] @@ -234900,15 +259680,15 @@ This interpretation is *not* the same as an at-all-times relation C7759106809664 C0033513 Proscillaridine - Proscillaridin - M0017785 + Proscillaridin Proscillaridin A + M0017785 Scillarenin Rhamnoside - Compounds consisting of chains of AMINO ACIDS alternating with CARBOXYLIC ACIDS via ester and amide linkages. They are commonly cyclized. C0796678 + Compounds consisting of chains of AMINO ACIDS alternating with CARBOXYLIC ACIDS via ester and amide linkages. They are commonly cyclized. 253508 C7759071624466 @@ -234928,8 +259708,8 @@ This interpretation is *not* the same as an at-all-times relation C7759071830917 D014634 Valinomycin - Valinomycin [Chemical/Ingredient] 11116 + Valinomycin [Chemical/Ingredient] N0000170352 @@ -234944,13 +259724,13 @@ This interpretation is *not* the same as an at-all-times relation C1142738 N0000171752 Active - C23260279896467 + C23260279896467 ANIDULAFUNGIN - C1172636 N0000171775 + C1172636 C23283814211303 4025243 Ingredient @@ -234966,8 +259746,8 @@ This interpretation is *not* the same as an at-all-times relation DASATINIB 475342 C50.416.4401 - Active <VANDF_Record>50.6^4184^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>4184</VA_IEN> + Active 4025488 dasatinib @@ -234982,13 +259762,13 @@ This interpretation is *not* the same as an at-all-times relation MYCOPHENOLATE C50.416.4438 MYCOPHENOLATE - Ingredient C0883242 + Ingredient 4025608 MYCOPHENOLATE <VANDF_Record>50.6^4198^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>4198</VA_IEN> - Active 265323 + Active <VANDF_Record>50.416^4438^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>4438</VA_IEN> N0000176078 @@ -235000,8 +259780,8 @@ This interpretation is *not* the same as an at-all-times relation C50.416.4485 NILOTINIB C1721377 - N0000176124 4026964 + N0000176124 Active Ingredient <VANDF_Record>50.6^4315^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>4315</VA_IEN> @@ -235050,26 +259830,26 @@ This interpretation is *not* the same as an at-all-times relation Ingredient <VANDF_Record>50.6^4453^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>4453</VA_IEN> Active - EVEROLIMUS + EVEROLIMUS everolimus - Decreased Blood Pressure [PE] Decreased Blood Pressure + Decreased Blood Pressure [PE] N0000178477 - C2917141 + C2917141 C637933 991700 - BAICALIN 4028922 + BAICALIN <VANDF_Record>50.416^4615^</VANDF_Record><VA_File>50.416</VA_File><VA_IEN>4615</VA_IEN> + Ingredient C0052929 Active - Ingredient C50.416^4615^ 18737 BAICALIN @@ -235098,9 +259878,9 @@ This interpretation is *not* the same as an at-all-times relation TOCILIZUMAB Ingredient + 612865 <VANDF_Record>50.6^4548^</VANDF_Record><VA_File>50.6</VA_File><VA_IEN>4548</VA_IEN> N0000180629 - 612865 TOCILIZUMAB C1609165 tocilizumab @@ -235108,12 +259888,12 @@ This interpretation is *not* the same as an at-all-times relation NUI - C10490107818172 + - C818 + C818 RxNorm_CUI @@ -235147,8 +259927,8 @@ This interpretation is *not* the same as an at-all-times relation - C262777 + VUID @@ -235156,108 +259936,69 @@ This interpretation is *not* the same as an at-all-times relation AHC0 true - - [copied from inverse property 'part of continuant at some time'] BFO2 Reference: continuant - [copied from inverse property 'part of continuant at some time'] BFO 2 Reference: a (continuant or occurrent) part of itself. We appreciate that this is counterintuitive for some users, since it implies for example that President Obama is a part of himself. However it brings benefits in simplifying the logical formalism, and it captures an important feature of identity, namely that it is the limit case of mereological inclusion. - hasContinuantPartAt - Alan Ruttenberg: This is a binary version of a ternary time-indexed, instance level, relation. The BFO reading of the binary relation 'has continuant part at some time@en' is: exists t, exists_at(x,t) & exists_at(y,t) & 'has continuant part@en'(x,y,t) - has continuant part at some time - - [copied from inverse property 'part of continuant at some time'] b continuant_part_of c at t =Def. b is a part of c at t & t is a time & b and c are continuants. (axiom label in BFO2 Reference: [002-001]) - [copied from inverse property 'part of continuant at some time'] BFO2 Reference: continuantThe range for ‘t’ (as in all cases throughout this document unless otherwise specified) is: temporal region. - has continuant part at some time - [copied from inverse property 'part of continuant at some time'] the Northern hemisphere of the planet Earth is a part of the planet Earth at all times at which the planet Earth exists. - b has_continuant_part c at t = Def. c continuant_part_of b at t. (axiom label in BFO2 Reference: [006-001]) - (iff (hasContinuantPartAt a b t) (continuantPartOfAt b a t)) // axiom label in BFO2 CLIF: [006-001] - c-has-part_st - [copied from inverse property 'part of continuant at some time'] BFO 2 Reference: Immaterial entities are in some cases continuant parts of their material hosts. Thus the hold of a ship, for example, is a part of the ship; it may itself have parts, which may have names (used for example by ship stow planners, customs inspectors, and the like). Immaterial entities under both 1. and 2. can be of zero, one, two or three dimensions. We define:a(immaterial entity)[Definition: a is an immaterial entity = Def. a is an independent continuant that has no material entities as parts. (axiom label in BFO2 Reference: [028-001]) - [copied from inverse property 'part of continuant at some time'] Mary’s arm continuant_part_of Mary in the time of her life prior to her operation - [copied from inverse property 'part of continuant at some time'] Alan Ruttenberg: This is a binary version of a ternary time-indexed, instance level, relation. The BFO reading of the binary relation 'part of continuant at some time@en' is: exists t, exists_at(x,t) & exists_at(y,t) & 'part of continuant@en'(x,y,t) - - - - susceptible to adverse event - Oliver He, Yingtong Liu - Note: This term needs to be moved to the OAE ontology. - An object property that represents a relation between a material entity (such as a drug or chemical or vaccine) and an adverse event (AE) where the administration of the material entity is susceptible to the presence of the adverse event. - This term needs to be transferred to OAE - susceptible to adverse event - - - a causal relation between a process and a phenotype where the process is capable of inducing the phenotype. - Oliver He - process capable of inducing phenotype - process capable of inducing phenotype - - - Oliver He - agent capable of inducing phenotype - a causal relation between a material entity and a phenotype where the material agent is capable of inducing the phenotype. - agent capable of inducing phenotype - Acupath COVID-19 Real-Time (RT-PCR) Assay Matt Diller - When citing Apollo-SV, use the permanent URL of the ontology: http://purl.obolibrary.org/obo/apollo_sv.owl. When referencing a specific component of the Apollo-SV such as a class, object property, annotation property, or individual, use the component's Uniform Resource Identifier (URI). Amanda Hicks + When citing Apollo-SV, use the permanent URL of the ontology: http://purl.obolibrary.org/obo/apollo_sv.owl. When referencing a specific component of the Apollo-SV such as a class, object property, annotation property, or individual, use the component's Uniform Resource Identifier (URI). John Levander 082D5D78-D916-457E-B4FD-365F86F45B30 - William R. Hogan C87985BA-6A8A-483A-A6B6-63975101F672 + William R. Hogan Mike Wagner - Josh Hanna Apollo Structured Vocabulary (Apollo-SV) + Josh Hanna Mathias Brochhausen Shawn T. Brown - v4.1.1 https://creativecommons.org/licenses/by/4.0/ + v4.1.1 1.2 For any queries contact chebi-help@ebi.ac.uk Author: ChEBI curation team - 26:05:2021 18:56 + 07:03:2022 09:50 developed by Michael Ashburner & Pankaj Jaiswal. + ChEBI Release version 209 ChEBI subsumes and replaces the Chemical Ontology first - ChEBI Release version 200 - 1.2 - The Disease Ontology has been developed as a standardized ontology for human disease with the purpose of providing the biomedical community with consistent, reusable and sustainable descriptions of human disease terms, phenotype characteristics and related medical vocabulary disease concepts. + 1.2 The Disease Ontology content is available via the Creative Commons Public Domain Dedication CC0 1.0 Universal license (https://creativecommons.org/publicdomain/zero/1.0/). + The Disease Ontology has been developed as a standardized ontology for human disease with the purpose of providing the biomedical community with consistent, reusable and sustainable descriptions of human disease terms, phenotype characteristics and related medical vocabulary disease concepts. Human Disease Ontology 28:01:2021 15:00 Josh Hanna - This version of DrOn is current through the June, 2020 version of RxNorm. An ontology of drugs. + This version of DrOn is current through the June, 2020 version of RxNorm. William Hogan https://creativecommons.org/licenses/by/3.0/ DrOn contains content developed by the National Library of Medicine in RxNorm. In creating DrOn, we have used RxNorm content only with SAB = RXNORM. Eric Joseph 2020-06-01 - Mathias Brochhausen When citing DrOn, use the permanent URL of the ontology: http://purl.obolibrary.org/obo/dron.owl. When referencing a specific component of the DrOn, such as a class, object property, annotation property, or individual, use the Uniform Resource Identifier (URI) of that component. + Mathias Brochhausen - ENVO is an ontology which represents knowledge about environments,environmental processes, ecosystems, habitats, and related entities Includes Ontology(OntologyID(OntologyIRI(<http://purl.obolibrary.org/obo/envo/modules/entity_attribute.owl>) VersionIRI(<null>))) [Axioms: 114 Logical Axioms: 19] + ENVO is an ontology which represents knowledge about environments,environmental processes, ecosystems, habitats, and related entities The Environment Ontology - Includes Ontology(OntologyID(OntologyIRI(<http://purl.obolibrary.org/obo/envo/modules/chemical_concentration.owl>) VersionIRI(<null>))) [Axioms: 499 Logical Axioms: 88] http://orcid.org/0000-0002-6601-2165 http://orcid.org/0000-0003-1604-1512 + Includes Ontology(OntologyID(OntologyIRI(<http://purl.obolibrary.org/obo/envo/modules/chemical_concentration.owl>) VersionIRI(<null>))) [Axioms: 499 Logical Axioms: 88] http://environmentontology.org/ http://orcid.org/0000-0002-8343-612X Includes Ontology(OntologyID(OntologyIRI(<http://purl.obolibrary.org/obo/envo/modules/process_attribute.owl>) VersionIRI(<null>))) [Axioms: 21 Logical Axioms: 2] Includes Ontology(OntologyID(OntologyIRI(<http://purl.obolibrary.org/obo/envo/modules/entity_quality_location.owl>) VersionIRI(<null>))) [Axioms: 40 Logical Axioms: 6] + https://github.com/EnvironmentOntology/envo/ https://creativecommons.org/publicdomain/zero/1.0/ - https://github.com/EnvironmentOntology/envo/ Includes Ontology(OntologyID(OntologyIRI(<http://purl.obolibrary.org/obo/envo/modules/entity_attribute_location.owl>) VersionIRI(<null>))) [Axioms: 135 Logical Axioms: 22] 2020-06-10 @@ -235266,11 +260007,11 @@ This interpretation is *not* the same as an at-all-times relation Jean-François Ethier Barry Smith - Qingzhi Liu Adrien Barton + Qingzhi Liu OBCS stands for the Ontology of Biological and Clinical Statistics. OBCS is an ontology in the domain of biological and clinical statistics. It is aligned with the Basic Formal Ontology (BFO) and the Ontology for Biomedical Investigations (OBI). OBCS imports all possible biostatistics terms in OBI and includes many additional biostatistics terms, some of which were proposed and discussed in the OBI face-to-face workshop in Ann Arbor in 2012. - Marcy Harris Yongqun "Oliver" He + Marcy Harris 101 Jie Zheng Huan Li @@ -235278,8 +260019,8 @@ This interpretation is *not* the same as an at-all-times relation Vision Release: 1.0.59 OGG is a biological ontology in the area of genes and genomes. OGG uses the Basic Formal Ontology (BFO) as its upper level ontology. This OGG document contains the genes and genomes of a list of selected organisms, including human, two viruses (HIV and influenza virus), and bacteria (B. melitensis strain 16M, E. coli strain K-12 substrain MG1655, M. tuberculosis strain H37Rv, and P. aeruginosa strain PAO1). More OGG information for other organisms (e.g., mouse, zebrafish, fruit fly, yeast, etc.) may be found in other OGG subsets. - + The Ontology of Medically Related Social Entities @@ -235288,14 +260029,14 @@ This interpretation is *not* the same as an at-all-times relation Use reasoner in Protege to see the correct hierarchy. + 13:12:2021 13:23 1.2 - 11:12:2020 19:58 The PRotein Ontology is licensed under CC BY 4.0. Please see http://obofoundry.org/ontology/pr for details. - OBO Relations Ontology The OBO Relations Ontology (RO) is a collection of OWL relations (ObjectProperties) intended for use across a wide variety of biological ontologies. + OBO Relations Ontology https://github.com/oborel/obo-relations/ @@ -235303,14 +260044,14 @@ This interpretation is *not* the same as an at-all-times relation en Lindsay Cowell Chris mungall - Alexander D. Diehl OWL-DL - Philip Huang + Alexander D. Diehl Ryan R. Brinkman + Philip Huang Samantha G. Sayers (SGS) Kallan Roan - Alan Ruttenburg Hong Yu + Alan Ruttenburg Rebecca Racz Yu Lin (YL) Shunzhou Deng @@ -235337,10 +260078,10 @@ This interpretation is *not* the same as an at-all-times relation Richard H. Scheuermann An ontology in the domain of vaccine and vaccination Jie Zheng - Omar Tibi - Vaccine Ontology - Bjoern Peters Melanie Courtot + Bjoern Peters + Vaccine Ontology + Omar Tibi diff --git a/src/ontology/cido-edit.owl b/src/ontology/cido-edit.owl index 6eb9dd7..9512575 100644 --- a/src/ontology/cido-edit.owl +++ b/src/ontology/cido-edit.owl @@ -78,7 +78,7 @@ CIDO: A biomedical ontology in the area of coronavirus infectious disease. CIDO: Ontology of Coronavirus Infectious Disease http://creativecommons.org/licenses/by/4.0/ - 1.0.297 + 1.0.298 diff --git a/src/ontology/cido.owl b/src/ontology/cido.owl index 03be2f6..daae688 100644 --- a/src/ontology/cido.owl +++ b/src/ontology/cido.owl @@ -52,7 +52,7 @@ CIDO: A biomedical ontology in the area of coronavirus infectious disease. CIDO: Ontology of Coronavirus Infectious Disease http://creativecommons.org/licenses/by/4.0/ - 1.0.297 + 1.0.298