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CHEBI:27978 - 3,4-dihydroxyphenylacetaldehyde

ChEBI IDCHEBI:27978
ChEBI Name3,4-dihydroxyphenylacetaldehyde
Stars
DefinitionA phenylacetaldehyde in which the 3 and 4 positions of the phenyl group are substituted by hydroxy groups.
Secondary ChEBI IDsCHEBI:1385, CHEBI:19888
Last Modified19 October 2021
DownloadsMolfile
FormulaC8H8O3
Net Charge0
Average Mass152.149
Monoisotopic Mass152.04734
SMILES[H]C(=O)Cc1ccc(O)c(O)c1
InChIInChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2
InChIKeyIADQVXRMSNIUEL-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3,4-dihydroxyphenylacetaldehyde (CHEBI:27978) has role Escherichia coli metabolite (CHEBI:76971)
3,4-dihydroxyphenylacetaldehyde (CHEBI:27978) has role human metabolite (CHEBI:77746)
3,4-dihydroxyphenylacetaldehyde (CHEBI:27978) has role mouse metabolite (CHEBI:75771)
3,4-dihydroxyphenylacetaldehyde (CHEBI:27978) is a catechols (CHEBI:33566)
3,4-dihydroxyphenylacetaldehyde (CHEBI:27978) is a phenylacetaldehydes (CHEBI:25973)
3,4-dihydroxyphenylacetaldehyde (CHEBI:27978) is a α-CH2-containing aldehyde (CHEBI:73359)
IUPAC Name 
(3,4-dihydroxyphenyl)acetaldehyde
Synonyms  Source
2-(3,4-dihydroxyphenyl)ethanalChEBI
3,4-DihydroxyphenylacetaldehydeKEGG COMPOUND
DOPALChEBI
ProtocatechuatealdehydeKEGG COMPOUND
UniProt Name  Source
3,4-dihydroxyphenylacetaldehydeUniProt
Manual XrefsDatabases
3,4-DihydroxyphenylacetaldehydeWikipedia
34-DIHYDROXYPHENYLACETALDEHYDEMetaCyc
C00052036KNApSAcK
C04043KEGG COMPOUND
FDB023227FooDB
HMDB0003791HMDB
Registry NumbersSources
Reaxys:1941234Reaxys
CAS:5707-55-1ChemIDplus
Citations