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CHEBI:53326 - 3,4-dihydroxymandelate

ChEBI IDCHEBI:53326
ChEBI Name3,4-dihydroxymandelate
Stars
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of 3,4-dihydroxymandelic acid.
Last Modified24 June 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H7O5
Net Charge-1
Average Mass183.139
Monoisotopic Mass183.02990
SMILESO=C([O-])C(O)c1ccc(O)c(O)c1
InChIInChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)/p-1
InChIKeyRGHMISIYKIHAJW-UHFFFAOYSA-M
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-dihydroxymandelate (CHEBI:53326) has role human metabolite (CHEBI:77746)
3,4-dihydroxymandelate (CHEBI:53326) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
3,4-dihydroxymandelate (CHEBI:53326) is conjugate base of 3,4-dihydroxymandelic acid (CHEBI:27637)
Incoming Relation(s)
(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetate (CHEBI:180944) is a 3,4-dihydroxymandelate (CHEBI:53326)
3,4-dihydroxymandelic acid (CHEBI:27637) is conjugate acid of 3,4-dihydroxymandelate (CHEBI:53326)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
Synonym  Source
(3,4-dihydroxyphenyl)(hydroxy)acetateIUPAC
Registry NumbersSources
Reaxys:10550858Reaxys