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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone ChEBI ID CHEBI:82588 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H13N3O3 Net Charge 0 Average Mass 223.22850 Monoisotopic Mass 223.09569 InChI InChI=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 InChIKey KRRWRVSPMYAJPF-UHFFFAOYSA-N SMILES CN(CCCC(=O)c1ccc[n+]([O-])c1)N=O ChEBI Ontology Outgoing 4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone (CHEBI:82588) is a aromatic ketone (CHEBI:76224) Synonyms Sources 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone KEGG COMPOUND NNK-N-oxide KEGG COMPOUND Manual Xrefs Databases C19602 KEGG COMPOUND HMDB0062375 HMDB View more database links Registry Number Type Source 76014-82-9 CAS Registry Number KEGG COMPOUND