CHEBI:131431 - 3,5-dihydroxyphenylacetic acid

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ChEBI Name 3,5-dihydroxyphenylacetic 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 0
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
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

View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3,5-dihydroxyphenylacetic acid (CHEBI:131431) has functional parent phenylacetic acid (CHEBI:30745)
3,5-dihydroxyphenylacetic acid (CHEBI:131431) has role drug metabolite (CHEBI:49103)
3,5-dihydroxyphenylacetic acid (CHEBI:131431) is a monocarboxylic acid (CHEBI:25384)
3,5-dihydroxyphenylacetic acid (CHEBI:131431) is a phenylacetic acids (CHEBI:25978)
3,5-dihydroxyphenylacetic acid (CHEBI:131431) is a resorcinols (CHEBI:33572)
IUPAC Name
(3,5-dihydroxyphenyl)acetic acid
Synonym Source
2-(3,5-dihydroxyphenyl)acetic acid ChEBI
Manual Xref Database
519640 ChemSpider
View more database links
Registry Numbers Types Sources
2691778 Reaxys Registry Number Reaxys
4670-09-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11495926 PubMed citation Europe PMC
26889225 PubMed citation Europe PMC
Last Modified
23 December 2018