CHEBI:86390 - 3-pyridylacetic acid

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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. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 (Bronsted 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