CHEBI:27637 - 3,4-dihydroxymandelic acid

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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
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Formula C8H8O5
Net Charge 0
Average Mass 184.14610
Monoisotopic Mass 184.037
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 Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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

mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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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) has role mouse metabolite (CHEBI:75771)
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-Dihydroxymandelic acid KEGG COMPOUND
3,4-Dihydroxyphenylglycolic acid HMDB
Dihydroxymandelic acid KEGG COMPOUND
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 Beilstein Registry Number Beilstein
2104039 Reaxys Registry Number Reaxys
775-01-9 CAS Registry Number KEGG COMPOUND
775-01-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12358456 PubMed citation Europe PMC
12649306 PubMed citation Europe PMC
17190852 PubMed citation Europe PMC
1736884 PubMed citation Europe PMC
1750693 PubMed citation Europe PMC
3104378 PubMed citation Europe PMC
5595114 PubMed citation Europe PMC
5778148 PubMed citation Europe PMC
5821523 PubMed citation Europe PMC
8193481 PubMed citation Europe PMC
Last Modified
27 January 2016