CHEBI:1427 - 3-(3-hydroxyphenyl)propanoic acid

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ChEBI Name 3-(3-hydroxyphenyl)propanoic acid ChEBI ID CHEBI:1427 Definition A monocarboxylic acid that is propionic acid carrying a 3-hydroxyphenyl substituent at C-3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB2478380, eMolecules:493992, ZINC000003870166 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H10O3 Net Charge 0 Average Mass 166.17390 Monoisotopic Mass 166.06299 InChI InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12) InChIKey QVWAEZJXDYOKEH-UHFFFAOYSA-N SMILES OC(=O)CCc1cccc(O)c1 Metabolite of Species Details Escherichia coli (NCBI:txid562) 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): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) has functional parent propionic acid (CHEBI:30768) 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) has role Escherichia coli metabolite (CHEBI:76971) 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) has role human xenobiotic metabolite (CHEBI:76967) 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) is a monocarboxylic acid (CHEBI:25384) 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) is conjugate acid of 3-(3-hydroxyphenyl)propanoate (CHEBI:57277) Incoming 3-(m-hydroxyphenyl)propanoyl-CoA (CHEBI:87996) has functional parent 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) 3-(3-hydroxyphenyl)propanoate (CHEBI:57277) is conjugate base of 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) IUPAC Name 3-(3-hydroxyphenyl)propanoic acid Synonyms Sources 3-(3-Hydroxy-phenyl)-propanoic acid KEGG COMPOUND 3-(3-hydroxyphenyl)propionic acid NIST Chemistry WebBook 3-(m-hydroxyphenyl)propionic acid NIST Chemistry WebBook β-(m-hydroxyphenyl)propionic acid NIST Chemistry WebBook Dihydro-3-coumaric acid KEGG COMPOUND Manual Xrefs Databases 3-HYDROXYPHENYL-PROPIONATE MetaCyc C11457 KEGG COMPOUND HMDB0000375 HMDB View more database links Registry Numbers Types Sources 1947445 Reaxys Registry Number Reaxys 621-54-5 CAS Registry Number ChemIDplus 621-54-5 CAS Registry Number NIST Chemistry WebBook Citation Last Modified 25 January 2016