CHEBI:53326 - 3,4-dihydroxymandelate

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ChEBI Name 3,4-dihydroxymandelate
ChEBI ID CHEBI:53326
Definition A hydroxy monocarboxylic acid anion that is the conjugate base of 3,4-dihydroxymandelic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H7O5
Net Charge -1
Average Mass 183.13820
Monoisotopic Mass 183.02990
InChI InChI=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
InChIKey RGHMISIYKIHAJW-UHFFFAOYSA-M
SMILES OC(C([O-])=O)c1ccc(O)c(O)c1
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 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 (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)acetate IUPAC
Registry Numbers Types Sources
10550858 Beilstein Registry Number Beilstein
10550858 Reaxys Registry Number Reaxys
Last Modified
24 June 2014