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CHEBI:566274 - malonaldehyde

ChEBI IDCHEBI:566274
ChEBI Namemalonaldehyde
Stars
DefinitionA dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.
Secondary ChEBI IDCHEBI:43895
Last Modified9 February 2018
DownloadsMolfile
FormulaC3H4O2
Net Charge0
Average Mass72.063
Monoisotopic Mass72.02113
SMILES[H]C(=O)CC([H])=O
InChIInChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2
InChIKeyWSMYVTOQOOLQHP-UHFFFAOYSA-N
Roles Classification
Application:
biomarker  A substance used as an indicator of a biological state.
ChEBI Ontology
Outgoing Relation(s)
malonaldehyde (CHEBI:566274) has role biomarker (CHEBI:59163)
malonaldehyde (CHEBI:566274) is a dialdehyde (CHEBI:38124)
IUPAC Name 
propanedial
Synonyms  Source
1,3-PropanedialChemIDplus
1,3-PropanedioneChemIDplus
1,3-PropanedialdehydeChemIDplus
MalonodialdehydeChemIDplus
Malonic aldehydeChemIDplus
MalonyldialdehydeChemIDplus
UniProt Name  Source
malonaldehydeUniProt
Manual XrefsDatabases
MDDPDBeChem
DB03057DrugBank
C19440KEGG COMPOUND
Registry NumbersSources
Gmelin:362229Gmelin
Reaxys:1209262Reaxys
CAS:542-78-9ChemIDplus
CAS:542-78-9NIST Chemistry WebBook
CAS:542-78-9KEGG COMPOUND
Citations