CHEBI:58744 - 3-(3,4-dihydroxyphenyl)propanoate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-(3,4-dihydroxyphenyl)propanoate ChEBI ID CHEBI:58744 Definition A monocarboxylic acid anion that is the conjugate base of 3-(3,4-dihydroxyphenyl)propanoic acid. 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 C9H9O4 Net Charge -1 Average Mass 181.16540 Monoisotopic Mass 181.05063 InChI InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)/p-1 InChIKey DZAUWHJDUNRCTF-UHFFFAOYSA-M SMILES Oc1ccc(CCC([O-])=O)cc1O Roles Classification 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-(3,4-dihydroxyphenyl)propanoate (CHEBI:58744) has role human xenobiotic metabolite (CHEBI:76967) 3-(3,4-dihydroxyphenyl)propanoate (CHEBI:58744) is a monocarboxylic acid anion (CHEBI:35757) 3-(3,4-dihydroxyphenyl)propanoate (CHEBI:58744) is conjugate base of 3-(3,4-dihydroxyphenyl)propanoic acid (CHEBI:48400) Incoming 3-(3,4-dihydroxyphenyl)propanoic acid (CHEBI:48400) is conjugate acid of 3-(3,4-dihydroxyphenyl)propanoate (CHEBI:58744) IUPAC Name 3-(3,4-dihydroxyphenyl)propanoate Synonym Source 3-(3,4-dihydroxyphenyl)propanoate UniProt Last Modified 20 December 2014