CHEBI:88356 - 3-methylphenylacetic acid

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ChEBI Name 3-methylphenylacetic acid ChEBI ID CHEBI:88356 Definition A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-methylphenyl group. 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 C9H10O2 Net Charge 0 Average Mass 150.175 Monoisotopic Mass 150.06808 InChI InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) InChIKey GJMPSRSMBJLKKB-UHFFFAOYSA-N SMILES OC(=O)CC=1C=CC=C(C1)C Metabolite of Species Details Mus musculus (NCBI:txid10090) See: MetaboLights Study Aspergillus sydowii (NCBI:txid75750) of strain CBMAI 934 See: PubMed 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): fungal xenobiotic metabolite Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi. View more via ChEBI Ontology ChEBI Ontology Outgoing 3-methylphenylacetic acid (CHEBI:88356) has functional parent acetic acid (CHEBI:15366) 3-methylphenylacetic acid (CHEBI:88356) has role fungal xenobiotic metabolite (CHEBI:76968) 3-methylphenylacetic acid (CHEBI:88356) is a benzenes (CHEBI:22712) 3-methylphenylacetic acid (CHEBI:88356) is a monocarboxylic acid (CHEBI:25384) IUPAC Name (3-methylphenyl)acetic acid Synonyms Sources 3-Tolylacetic acid HMDB m-Methylphenylacetic acid HMDB m-Tolylacetic acid HMDB Manual Xref Database HMDB0002222 HMDB View more database links Registry Numbers Types Sources 2043549 Reaxys Registry Number Reaxys 621-36-3 CAS Registry Number NIST Chemistry WebBook 621-36-3 CAS Registry Number ChemIDplus Citation Type Source 24057165 PubMed citation Europe PMC Last Modified 08 June 2016