(3,5-dihydroxyphenyl)acetic acid (CHEBI:131431)

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ChEBI Name	(3,5-dihydroxyphenyl)acetic acid

ChEBI ID	CHEBI:131431

Definition	A monocarboxylic acid that is phenylacetic acid carrying two hydroxy substituents at positions 3 and 5 on the benzene ring.

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

Supplier Information

Download	Molfile XML SDF

Formula

C8H8O4

Net Charge

Average Mass

168.147

Monoisotopic Mass

168.04226

InChI

InChI=1S/C8H8O4/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4,9-10H,3H2,(H,11,12)

InChIKey

IOVOJJDSFSXJQN-UHFFFAOYSA-N

SMILES

OC(=O)CC1=CC(O)=CC(O)=C1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: PubMed
Homo sapiens (NCBI:txid9606)	See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133). From MetaboLights See: MetaboLights Study

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):	drug metabolite

ChEBI Ontology
Outgoing	(3,5-dihydroxyphenyl)acetic acid (CHEBI:131431) has functional parent phenylacetic acid (CHEBI:30745) (3,5-dihydroxyphenyl)acetic acid (CHEBI:131431) has role drug metabolite (CHEBI:49103) (3,5-dihydroxyphenyl)acetic acid (CHEBI:131431) is a monocarboxylic acid (CHEBI:25384) (3,5-dihydroxyphenyl)acetic acid (CHEBI:131431) is a phenylacetic acids (CHEBI:25978) (3,5-dihydroxyphenyl)acetic acid (CHEBI:131431) is a resorcinols (CHEBI:33572) (3,5-dihydroxyphenyl)acetic acid (CHEBI:131431) is conjugate acid of (3,5-dihydroxyphenyl)acetate (CHEBI:189559)

Incoming	(3,5-dihydroxyphenyl)acetate (CHEBI:189559) is conjugate base of (3,5-dihydroxyphenyl)acetic acid (CHEBI:131431)

IUPAC Name

(3,5-dihydroxyphenyl)acetic acid

Synonyms	Sources
2-(3,5-dihydroxyphenyl)acetic acid	ChEBI
3,5-dihydroxyphenylacetic acid	ChEBI

Last Modified

27 January 2022