Chemical Component Summary

NameMALONALDEHYDE
Identifierspropanedial
FormulaC3 H4 O2
Molecular Weight72.063
TypeNON-POLYMER
Isomeric SMILESC(C=O)C=O
InChIInChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2
InChIKeyWSMYVTOQOOLQHP-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count9
Chiral Atom Count0
Bond Count8
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03057 
NameMalonaldehyde
Groups experimental
DescriptionMalonaldehyde is the dialdehyde of [malonic acid].
Synonyms
  • Malonic aldehyde
  • Malonic dialdehyde
  • Malonaldehyde
  • Malonodialdehyde
  • Malondialdehyde
CategoriesAldehydes
CAS number542-78-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-lactamase SHV-1MRYIRLCIISLLATLPLAVHASPQPLEQIKLSESQLSGRVGMIEMDLASG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 10964
ChEMBL CHEMBL446036
ChEBI CHEBI:566274