Terminology Service for NFDI4Health
2,4,5-trihydroxyphenylacetate
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http://purl.obolibrary.org/obo/CHEBI_138056
A monocarboxylic acid anion that is the conjugate base of 2,4,5-trihydroxyphenylacetic acid, obtained by deprotonation of the carboxy group; major microspecies at pH 7.3.
Term info
Label
2,4,5-trihydroxyphenylacetate
Synonyms
- (2,4,5-trihydroxyphenyl)acetate
- 2,4,5-trihydroxyphenylacetate
Subsets
3_STAR
charge
-1
formula
C8H7O5
has obo namespace
chebi_ontology
id
CHEBI:138056
inchi
InChI=1S/C8H8O5/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3,9-11H,2H2,(H,12,13)/p-1
inchikey
FKWSAXDBQYTQDO-UHFFFAOYSA-M
mass
183.138
monoisotopicmass
183.02990
smiles
C1=C(C(=CC(=C1CC(=O)[O-])O)O)O
Term relations
Subclass of:
- monocarboxylic acid anion
- is conjugate base of some 2,4,5-trihydroxyphenylacetic acid
- has functional parent some phenylacetate
Related from: