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CHEBI:27852 - 3,4-dihydroxymandelaldehyde

ChEBI IDCHEBI:27852
ChEBI Name3,4-dihydroxymandelaldehyde
Stars
DefinitionA hydroxyaldehyde consisting of phenylacetaldehyde having three hydroxy substituents located at the α-, 3- and 4-positions. It is a metabolite of noradrenaline.
Secondary ChEBI IDsCHEBI:1382, CHEBI:19883
Last Modified18 May 2023
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILES[H]C(=O)C(O)c1ccc(O)c(O)c1
InChIInChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H
InChIKeyYUGMCLJIWGEKCK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) brain (BTO:0000142) PubMed (2817346)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
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 Relation(s)
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 Relation(s)
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  Source
2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehydeChEBI
3,4-dihydroxymandelic aldehydeMetaCyc
3,4-DihydroxyphenylglycolaldehydeChemIDplus
3,4-dihydroxyphenylglycolic aldehydeChEBI
DHMALMetaCyc
DHPGALDMetaCyc
UniProt Name  Source
3,4-dihydroxymandelaldehydeUniProt
Manual XrefsDatabases
C05577KEGG COMPOUND
FDB023855FooDB
HMDB0006242HMDB
Registry NumbersSources
Reaxys:2092210Reaxys
CAS:13023-73-9ChemIDplus
Citations