3,4-dihydroxymandelaldehyde (CHEBI:27852)

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ChEBI Name	3,4-dihydroxymandelaldehyde

ChEBI ID	CHEBI:27852

Definition	A hydroxyaldehyde consisting of phenylacetaldehyde having three hydroxy substituents located at the α-, 3- and 4-positions. It is a metabolite of noradrenaline.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:1382, CHEBI:19883

Supplier Information

Download	Molfile XML SDF

Formula

C8H8O4

Net Charge

Average Mass

168.14670

Monoisotopic Mass

168.04226

InChI

InChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H

InChIKey

YUGMCLJIWGEKCK-UHFFFAOYSA-N

SMILES

[H]C(=O)C(O)c1ccc(O)c(O)c1

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606)	Found in brain (BTO:0000142). See: PubMed

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). neurotoxin A poison that interferes with the functions of the nervous system.

ChEBI Ontology
Outgoing	3,4-dihydroxymandelaldehyde (CHEBI:27852) has role human metabolite (CHEBI:77746) 3,4-dihydroxymandelaldehyde (CHEBI:27852) has role mouse metabolite (CHEBI:75771) 3,4-dihydroxymandelaldehyde (CHEBI:27852) has role neurotoxin (CHEBI:50910) 3,4-dihydroxymandelaldehyde (CHEBI:27852) is a catechols (CHEBI:33566) 3,4-dihydroxymandelaldehyde (CHEBI:27852) is a hydroxyaldehyde (CHEBI:50413)

Incoming	3-methoxy-4-hydroxyphenylglycolaldehyde (CHEBI:27932) has functional parent 3,4-dihydroxymandelaldehyde (CHEBI:27852) (R)-3,4-dihydroxymandelaldehyde (CHEBI:180943) is a 3,4-dihydroxymandelaldehyde (CHEBI:27852)

IUPAC Name

(3,4-dihydroxyphenyl)(hydroxy)acetaldehyde

Synonyms	Sources
2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde	ChEBI
3,4-dihydroxymandelaldehyde	UniProt
3,4-dihydroxymandelic aldehyde	MetaCyc
3,4-Dihydroxyphenylglycolaldehyde	ChemIDplus
3,4-dihydroxyphenylglycolic aldehyde	ChEBI
α,3,4-trihydroxybenzeneacetaldehyde	MetaCyc
α,3,4-trihydroxyphenylacetaldehyde	ChEBI
DHMAL	MetaCyc
DHPGALD	MetaCyc
DOPEGAL	MetaCyc

Last Modified

18 May 2023