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
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