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

ChEBI IDCHEBI:58744
ChEBI Name3-(3,4-dihydroxyphenyl)propanoate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of 3-(3,4-dihydroxyphenyl)propanoic acid.
Last Modified20 December 2014
DownloadsMolfile
FormulaC9H9O4
Net Charge-1
Average Mass181.167
Monoisotopic Mass181.05063
SMILESO=C([O-])CCc1ccc(O)c(O)c1
InChIInChI=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
InChIKeyDZAUWHJDUNRCTF-UHFFFAOYSA-M
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
UniProt Name  Source
3-(3,4-dihydroxyphenyl)propanoateUniProt