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CHEBI:17612 - (3,4-dihydroxyphenyl)acetate

ChEBI IDCHEBI:17612
ChEBI Name(3,4-dihydroxyphenyl)acetate
Stars
DefinitionA dihydroxy monocarboxylic acid anion that is the conjugate base of (3,4-dihydroxyphenyl)acetic acid, arising from deprotonation of the carboxy group.
Secondary ChEBI IDsCHEBI:11696, CHEBI:11697, CHEBI:19889
Last Modified11 July 2014
DownloadsMolfile
FormulaC8H7O4
Net Charge-1
Average Mass167.140
Monoisotopic Mass167.03498
SMILESO=C([O-])Cc1ccc(O)c(O)c1
InChIInChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/p-1
InChIKeyCFFZDZCDUFSOFZ-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(3,4-dihydroxyphenyl)acetate (CHEBI:17612) has functional parent phenylacetate (CHEBI:18401)
(3,4-dihydroxyphenyl)acetate (CHEBI:17612) has role human metabolite (CHEBI:77746)
(3,4-dihydroxyphenyl)acetate (CHEBI:17612) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
(3,4-dihydroxyphenyl)acetate (CHEBI:17612) is conjugate base of (3,4-dihydroxyphenyl)acetic acid (CHEBI:41941)
Incoming Relation(s)
(3,4-dihydroxyphenyl)acetic acid (CHEBI:41941) is conjugate acid of (3,4-dihydroxyphenyl)acetate (CHEBI:17612)
IUPAC Name 
(3,4-dihydroxyphenyl)acetate
Synonym  Source
homoprotocatechuateChEBI
UniProt Name  Source
3,4-dihydroxyphenylacetateUniProt
Manual XrefsDatabases
C01161KEGG COMPOUND
c0272UM-BBD