CHEBI:27852 - 3,4-dihydroxymandelaldehyde

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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 0
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.
View more via ChEBI Ontology
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
Manual Xrefs Databases
C05577 KEGG COMPOUND
FDB023855 FooDB
HMDB0006242 HMDB
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Registry Numbers Types Sources
13023-73-9 CAS Registry Number ChemIDplus
2092210 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10424772 PubMed citation Europe PMC
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Last Modified
18 May 2023