Terminology Service for NFDI4Health
(3,4-dihydroxyphenyl)acetate
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http://purl.obolibrary.org/obo/CHEBI_17612
A dihydroxy monocarboxylic acid anion that is the conjugate base of (3,4-dihydroxyphenyl)acetic acid, arising from deprotonation of the carboxy group.
Term info
Label
(3,4-dihydroxyphenyl)acetate
Synonyms
- (3,4-dihydroxyphenyl)acetate
Subsets
3_STAR
charge
-1
formula
C8H7O4
has alternative id
CHEBI:19889, CHEBI:11697, CHEBI:11696
has obo namespace
chebi_ontology
has related synonym
3,4-dihydroxyphenylacetate, homoprotocatechuate
id
CHEBI:17612
inchi
InChI=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
inchikey
CFFZDZCDUFSOFZ-UHFFFAOYSA-M
mass
167.13878
monoisotopicmass
167.03498
smiles
Oc1ccc(CC([O-])=O)cc1O
Term relations
Subclass of:
- hydroxy monocarboxylic acid anion
- is conjugate base of some (3,4-dihydroxyphenyl)acetic acid
- has functional parent some phenylacetate
- has role some human metabolite
Related from: