CHEBI:180944 - (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetate

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ChEBI Name (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
ChEBI ID CHEBI:180944
ChEBI ASCII Name (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
Definition Major microspecies at pH 7.3 of (R)-3,4-dihydroxymandelate
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C8H7O5
Net Charge -1
Average Mass 183.140
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/t7-/m1/s1
InChIKey RGHMISIYKIHAJW-SSDOTTSWSA-M
SMILES C([C@@H](C1=CC(=C(C=C1)O)O)O)(=O)[O-]
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 3,4-dihydroxymandelate )
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ChEBI Ontology
Outgoing (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetate (CHEBI:180944) is a 3,4-dihydroxymandelate (CHEBI:53326)
Synonym Source
(R)-3,4-dihydroxymandelate UniProt
Manual Xref Database
CPD-11879 MetaCyc accession
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