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CHEBI:82588 - 4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone

ChEBI IDCHEBI:82588
ChEBI Name4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone
Stars
DownloadsMolfile
FormulaC10H13N3O3
Net Charge0
Average Mass223.232
Monoisotopic Mass223.09569
SMILESCN(CCCC(=O)c1ccc[n+]([O-])c1)N=O
InChIInChI=1S/C10H13N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8H,3,5-6H2,1H3
InChIKeyKRRWRVSPMYAJPF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone (CHEBI:82588) is a aromatic ketone (CHEBI:76224)
Synonyms  Source
NNK-N-oxideKEGG COMPOUND
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanoneKEGG COMPOUND
Manual XrefsDatabases
C19602KEGG COMPOUND
HMDB0062375HMDB
Registry NumbersSources
CAS:76014-82-9KEGG COMPOUND