CHEBI:82562 - 4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone
ChEBI ID CHEBI:82562
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C9H11N3O2
Net Charge 0
Average Mass 193.20250
Monoisotopic Mass 193.08513
InChI InChI=1S/C9H11N3O2/c13-9(4-2-6-11-12-14)8-3-1-5-10-7-8/h1,3,5,7H,2,4,6H2,(H,11,14)
InChIKey NCSVUFYZLCBFKE-UHFFFAOYSA-N
SMILES O=NNCCCC(=O)c1cccnc1
ChEBI Ontology
Outgoing 4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone (CHEBI:82562) is a aromatic ketone (CHEBI:76224)
Manual Xrefs Databases
C19564 KEGG COMPOUND
HMDB0062376 HMDB
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