Chemical Component Summary

Name(2E)-BUT-2-ENAL
SynonymsCROTONALDEHYDE
Identifiers(E)-but-2-enal
FormulaC4 H6 O
Molecular Weight70.09
TypeNON-POLYMER
Isomeric SMILESC\C=C\C=O
InChIInChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
InChIKeyMLUCVPSAIODCQM-NSCUHMNNSA-N

Chemical Details

Formal Charge0
Atom Count11
Chiral Atom Count0
Bond Count10
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04381 
NameCrotonaldehyde
Groups experimental
Synonyms
  • (E)-crotonaldehyde
  • trans-2-butenaldehyde
  • methylpropenal
  • crotylaldehyde
  • β-methylacrolein
CAS number123-73-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Aldehyde dehydrogenase, mitochondrialMLRAAARFGPRLGRRLLSAAATQAVPAPNQQPEVFCNQIFINNEWHDAVS...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 447466
ChEMBL CHEMBL1086445
ChEBI CHEBI:41607