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ID	http://purl.obolibrary.org/obo/CHEBI_89087 http://purl.obolibrary.org/obo/CHEBI_89087 https://agroportal.lirmm.fr/ontologies/EFO/CHEBI_89087 Loading
Preferred name	cotinine N-oxide
Synonyms	(5S)-1-methyl-5-(1-oxo-1lambda(5)-pyridin-3-yl)pyrrolidin-2-one (-)-cotinine N-oxide Cotinine-N-oxide (S)-1-methyl-5-(1-oxido-3-pyridinyl)-2-Pyrrolidinone (S)-1-methyl-5-(3-pyridinyl)-2-Pyrrolidinone N-oxide (5S)-1-methyl-5-(1-oxido-3-pyridinyl)-2-pyrrolidinone 3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-olate See more See less
Definitions	An N-alkylpyrrolidine that is nicotine in which the methylene hydrogens at position 2 on the pyrrolidine ring have been replaced by an oxo group and the pyridine nitrogen converted into the corresponding N-oxide. A minor metabolite of nicotine.

rdf:type	http://www.w3.org/2002/07/owl#Class Loading
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_24532 Loading http://purl.obolibrary.org/obo/CHEBI_37622 Loading http://purl.obolibrary.org/obo/CHEBI_25741 Loading
rdfs:label	cotinine N-oxide
skos:notation	CHEBI:89087
obo_purl:IAO_0000115	An N-alkylpyrrolidine that is nicotine in which the methylene hydrogens at position 2 on the pyrrolidine ring have been replaced by an oxo group and the pyridine nitrogen converted into the corresponding N-oxide. A minor metabolite of nicotine.
oboinowl_gen:hasExactSynonym	(5S)-1-methyl-5-(1-oxo-1lambda(5)-pyridin-3-yl)pyrrolidin-2-one
oboinowl_gen:hasDbXref	CAS:36508-80-2 HMDB:HMDB0001411 MetaCyc:CPD-3185 PMID:1478978 PMID:15109883 PMID:1521032 PMID:15472033 PMID:16359169 PMID:17640086 PMID:19065315 PMID:19466395 PMID:20097626 PMID:20301889 PMID:20822672 PMID:20980010 PMID:21452992 PMID:21719221 PMID:23022114 PMID:23318728 PMID:23737496 PMID:23983622 PMID:24755743 PMID:24968308 PMID:25013964 PMID:25304849 PMID:26721601 PMID:27480511 PMID:3443673 PMID:4625531 PMID:8294547 Reaxys:6479802 See more See less
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:89087
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR Loading
oboinowl_gen:hasRelatedSynonym	(-)-cotinine N-oxide Cotinine-N-oxide (S)-1-methyl-5-(1-oxido-3-pyridinyl)-2-Pyrrolidinone (S)-1-methyl-5-(3-pyridinyl)-2-Pyrrolidinone N-oxide (5S)-1-methyl-5-(1-oxido-3-pyridinyl)-2-pyrrolidinone 3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-olate See more See less
obo_purl:charge	0
obo_purl:formula	C10H12N2O2
obo_purl:inchi	InChI=1S/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
obo_purl:inchikey	CIPULDKLIIVIER-VIFPVBQESA-N
obo_purl:mass	192.215
obo_purl:monoisotopicmass	192.08988
obo_purl:smiles	CN1[C@@](CCC1=O)(C2=C[N+](=CC=C2)[O-])[H]

Subject	Author	Type	Created
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