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3,4-dihydroxymandelic acid (CHEBI:27637)

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ChEBI Name 3,4-dihydroxymandelic acid
ChEBI ID CHEBI:27637
Definition A catechol that is the 3,4-dihydroxy derivative of mandelic acid; a metabolite of L-dopa.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1383, CHEBI:19884
Supplier Information
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Formula Source
C8H8O5 KEGG COMPOUND
Net Charge 0
Average Mass 184.14610
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)
InChIKey
RGHMISIYKIHAJW-UHFFFAOYSA-N
SMILES
OC(C(O)=O)c1ccc(O)c(O)c1
Metabolite of Species Source
Isolated from Homo sapiens (NCBI:9606) DOI
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
drug metabolite

View more on the ChEBI Ontology
ChEBI Ontology
Outgoing 3,4-dihydroxymandelic acid (CHEBI:27637) has functional parent mandelic acid (CHEBI:35825)
3,4-dihydroxymandelic acid (CHEBI:27637) has role antioxidant (CHEBI:22586)
3,4-dihydroxymandelic acid (CHEBI:27637) has role drug metabolite (CHEBI:49103)
3,4-dihydroxymandelic acid (CHEBI:27637) has role human metabolite (CHEBI:77746)
3,4-dihydroxymandelic acid (CHEBI:27637) is a 2-hydroxy monocarboxylic acid (CHEBI:49302)
3,4-dihydroxymandelic acid (CHEBI:27637) is a catechols (CHEBI:33566)
3,4-dihydroxymandelic acid (CHEBI:27637) is conjugate acid of 3,4-dihydroxymandelate (CHEBI:53326)
Incoming 3,4-dihydroxymandelate (CHEBI:53326) is conjugate base of 3,4-dihydroxymandelic acid (CHEBI:27637)
IUPAC Name
2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid
Synonyms Sources
(3,4-dihydroxyphenyl)(hydroxy)acetic acid IUPAC
3,4-Dihydroxymandelate KEGG COMPOUND
3,4-Dihydroxyphenylglycolic acid HMDB
DOMA ChEBI
Database Links Databases
3,4-Dihydroxymandelic_acid Wikipedia
C05580 KEGG COMPOUND
CPD-11879 MetaCyc
HMDB01866 HMDB
View more database links
Registry Numbers Types Sources
2104039 Reaxys Registry Number Reaxys
2104039 Beilstein Registry Number Beilstein
775-01-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12358456 PubMed citation CiteXplore
12649306 PubMed citation CiteXplore
17190852 PubMed citation CiteXplore
1736884 PubMed citation CiteXplore
1750693 PubMed citation CiteXplore
3104378 PubMed citation CiteXplore
5595114 PubMed citation CiteXplore
5778148 PubMed citation CiteXplore
5821523 PubMed citation CiteXplore
8193481 PubMed citation CiteXplore
Last Modified
24 June 2014

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