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> Main
CHEBI:86390 - 3-pyridylacetic acid
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ChEBI Ontology
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ChEBI Name
3-pyridylacetic acid
ChEBI ID
CHEBI:86390
Definition
A monocarboxylic acid that is acetic acid substituted by a (pyridin-3-yl) group. It is a metabolite of nicotine and other tobacco alkaloids.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H7NO2
Net Charge
0
Average Mass
137.13600
Monoisotopic Mass
137.04768
InChI
InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)
InChIKey
WGNUNYPERJMVRM-UHFFFAOYSA-N
SMILES
OC(=O)Cc1cccnc1
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-pyridylacetic acid (
CHEBI:86390
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
3-pyridylacetic acid (
CHEBI:86390
)
is a
monocarboxylic acid (
CHEBI:25384
)
3-pyridylacetic acid (
CHEBI:86390
)
is a
pyridines (
CHEBI:26421
)
IUPAC Name
(pyridin-3-yl)acetic acid
Manual Xrefs
Databases
3505
DrugCentral
HMDB0001538
HMDB
View more database links
Registry Numbers
Types
Sources
114005
Reaxys Registry Number
Reaxys
501-81-5
CAS Registry Number
ChemIDplus
Citation
Type
Source
25502724
PubMed citation
Europe PMC
Last Modified
22 February 2017