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CHEBI:138056 - 2,4,5-trihydroxyphenylacetate

ChEBI IDCHEBI:138056
ChEBI Name2,4,5-trihydroxyphenylacetate
Stars
DefinitionA 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.
Last Modified17 October 2017
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H7O5
Net Charge-1
Average Mass183.139
Monoisotopic Mass183.02990
SMILESO=C([O-])Cc1cc(O)c(O)cc1O
InChIInChI=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
InChIKeyFKWSAXDBQYTQDO-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2,4,5-trihydroxyphenylacetate (CHEBI:138056) has functional parent phenylacetate (CHEBI:18401)
2,4,5-trihydroxyphenylacetate (CHEBI:138056) is a monocarboxylic acid anion (CHEBI:35757)
2,4,5-trihydroxyphenylacetate (CHEBI:138056) is conjugate base of 2,4,5-trihydroxyphenylacetic acid (CHEBI:138055)
Incoming Relation(s)
2,4,5-trihydroxyphenylacetic acid (CHEBI:138055) is conjugate acid of 2,4,5-trihydroxyphenylacetate (CHEBI:138056)
IUPAC Name 
(2,4,5-trihydroxyphenyl)acetate
UniProt Name  Source
2,4,5-trihydroxyphenylacetateUniProt
Citations