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CHEBI:144586 - 4-hydroxy-2-oxobutanal

ChEBI IDCHEBI:144586
ChEBI Name4-hydroxy-2-oxobutanal
Stars
DefinitionA 2-oxo aldehyde that is 4-hydroxybutanal carrying an oxo group at position 2. It is a degradation product of vitamin C.
Last Modified22 August 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC4H6O3
Net Charge0
Average Mass102.089
Monoisotopic Mass102.03169
SMILES[H]C(=O)C(=O)CCO
InChIInChI=1S/C4H6O3/c5-2-1-4(7)3-6/h3,5H,1-2H2
InChIKeyCUSSNCHZLYDUPJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO_0000131) PubMed (25164824)
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-2-oxobutanal (CHEBI:144586) has role antibacterial agent (CHEBI:33282)
4-hydroxy-2-oxobutanal (CHEBI:144586) has role human xenobiotic metabolite (CHEBI:76967)
4-hydroxy-2-oxobutanal (CHEBI:144586) is a 2-oxo aldehyde (CHEBI:27659)
4-hydroxy-2-oxobutanal (CHEBI:144586) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
4-hydroxy-2-oxobutanal
Synonyms  Source
4-hydroxy-2-ketobutyraldehydeChemIDplus
4-hydroxy-2-oxobutyraldehydeChemIDplus
4-hydroxy-1,2-butanedioneChEBI
3-deoxythreosoneChEBI
UniProt Name  Source
4-hydroxy-2-oxobutanalUniProt
Registry NumbersSources
CAS:28119-61-1ChemIDplus
Citations