meta-hydroxyphenylhydracrylic acid (CHEBI:78336)

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ChEBI Name	meta-hydroxyphenylhydracrylic acid

ChEBI ID	CHEBI:78336

ChEBI ASCII Name	meta-hydroxyphenylhydracrylic acid

Definition	A hydroxy monocarboxylic acid that is propionic acid substituted by a hydroxy group at position 3 and a 3-hydroxyphenyl group at position 2. It is a metabolite of flavonoids and has been identified as one of the major phenolic acids in human urine.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C9H10O4

Net Charge

Average Mass

182.17330

Monoisotopic Mass

182.05791

InChI

InChI=1S/C9H10O4/c10-5-8(9(12)13)6-2-1-3-7(11)4-6/h1-4,8,10-11H,5H2,(H,12,13)

InChIKey

DGBMCKWHCNMPPE-UHFFFAOYSA-N

SMILES

OCC(C(O)=O)c1cccc(O)c1

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.

ChEBI Ontology
Outgoing	meta-hydroxyphenylhydracrylic acid (CHEBI:78336) has functional parent propionic acid (CHEBI:30768) meta-hydroxyphenylhydracrylic acid (CHEBI:78336) has role human xenobiotic metabolite (CHEBI:76967) meta-hydroxyphenylhydracrylic acid (CHEBI:78336) is a hydroxy monocarboxylic acid (CHEBI:35868) meta-hydroxyphenylhydracrylic acid (CHEBI:78336) is a phenols (CHEBI:33853)

IUPAC Name

3-hydroxy-2-(3-hydroxyphenyl)propanoic acid

Manual Xref	Database
Meta-Hydroxyphenylhydracrylic_acid	Wikipedia
View more database links

Registry Number	Type	Source
15405544	Reaxys Registry Number	Reaxys

Last Modified

24 April 2014