EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233580 - K027

ChEBI IDCHEBI:233580
ChEBI NameK027
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC15H16N4O2.2HBr
Net Charge0
Average Mass446.143
Monoisotopic Mass443.97965
SMILESBr.Br.[NH-]C(=O)c1cc[n+](CCCN2C=CC(=CN=O)C=C2)cc1
InChIInChI=1S/C15H16N4O2.2BrH/c16-15(20)14-4-10-19(11-5-14)7-1-6-18-8-2-13(3-9-18)12-17-21;;/h2-5,8-12H,1,6-7H2,(H-,16,20);2*1H
InChIKeyGUKLPXXRDXZMIV-UHFFFAOYSA-N
Roles Classification
Biological Role:
cholinesterase reactivator  A drug used to reverse the inactivation of cholinesterase caused by organophosphates or sulfonates.
ChEBI Ontology
Outgoing Relation(s)
K027 (CHEBI:233580) has role cholinesterase reactivator (CHEBI:50241)
K027 (CHEBI:233580) is a oxime (CHEBI:25750)
IUPAC Name 
1-[3-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-carboxamide;dibromide
Citations