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

ChEBI IDCHEBI:131431
ChEBI Name(3,5-dihydroxyphenyl)acetic acid
Stars
DefinitionA monocarboxylic acid that is phenylacetic acid carrying two hydroxy substituents at positions 3 and 5 on the benzene ring.
Last Modified27 January 2022
Submittermwilliams
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESO=C(O)Cc1cc(O)cc(O)c1
InChIInChI=1S/C8H8O4/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4,9-10H,3H2,(H,11,12)
InChIKeyIOVOJJDSFSXJQN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (26839171)
- MetaboLights (MTBLS298)
blood serum (BTO:0000133) MetaboLights (MTBLS298) From MetaboLights
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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  Source
2-(3,5-dihydroxyphenyl)acetic acidChEBI
3,5-dihydroxyphenylacetic acidChEBI
Manual XrefsDatabases
519640ChemSpider
HMDB0094709HMDB
Registry NumbersSources
Reaxys:2691778Reaxys
CAS:4670-09-1ChemIDplus
Citations