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

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Formula

C8H8O5

Net Charge

Average Mass

184.14610

Monoisotopic Mass

184.03717

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:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606)	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).

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

Last Modified

20 October 2021