3-hydroxyphenylacetic acid (CHEBI:17445)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	3-hydroxyphenylacetic acid

ChEBI ID	CHEBI:17445

Definition	A monocarboxylic acid that is phenylacetic acid in which the hydrogen at position 3 on the benzene ring is replaced by a hydroxy group.

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

Secondary ChEBI IDs	CHEBI:39897, CHEBI:11833, CHEBI:1550, CHEBI:20076

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C8H8O3

Net Charge

Average Mass

152.14732

Monoisotopic Mass

152.04734

InChI

InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)

InChIKey

FVMDYYGIDFPZAX-UHFFFAOYSA-N

SMILES

OC(=O)Cc1cccc(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	3-hydroxyphenylacetic acid (CHEBI:17445) has functional parent acetic acid (CHEBI:15366) 3-hydroxyphenylacetic acid (CHEBI:17445) has role human xenobiotic metabolite (CHEBI:76967) 3-hydroxyphenylacetic acid (CHEBI:17445) is a monocarboxylic acid (CHEBI:25384) 3-hydroxyphenylacetic acid (CHEBI:17445) is a phenols (CHEBI:33853) 3-hydroxyphenylacetic acid (CHEBI:17445) is conjugate acid of 3-hydroxyphenylacetate (CHEBI:58149)

Incoming	3-hydroxyphenylacetate (CHEBI:58149) is conjugate base of 3-hydroxyphenylacetic acid (CHEBI:17445)

IUPAC Name

(3-hydroxyphenyl)acetic acid

Last Modified

23 October 2015