CHEBI:89087 - cotinine N-oxide

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ChEBI Name cotinine N-oxide ChEBI ID CHEBI:89087 ChEBI ASCII Name cotinine N-oxide Definition An N-alkylpyrrolidine that is nicotine in which the methylene hydrogens at position 2 on the pyrrolidine ring have been replaced by an oxo group and the pyridine nitrogen converted into the corresponding N-oxide.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. Stars This entity has been manually annotated by the ChEBI Team. 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 C10H12N2O2 Net Charge 0 Average Mass 192.215 Monoisotopic Mass 192.08988 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 InChIKey CIPULDKLIIVIER-VIFPVBQESA-N SMILES CN1[C@@](CCC1=O)(C2=C[N+](=CC=C2)[O-])[H] Metabolite of Species Details Mus musculus (NCBI:txid10090) See: PubMed Rattus norvegicus (NCBI:txid10116) See: PubMed Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): drug metabolite human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing cotinine N-oxide (CHEBI:89087) has functional parent nicotine (CHEBI:18723) cotinine N-oxide (CHEBI:89087) has role drug metabolite (CHEBI:49103) cotinine N-oxide (CHEBI:89087) has role human urinary metabolite (CHEBI:84087) cotinine N-oxide (CHEBI:89087) has role mouse metabolite (CHEBI:75771) cotinine N-oxide (CHEBI:89087) has role rat metabolite (CHEBI:86264) cotinine N-oxide (CHEBI:89087) is a N-alkylpyrrolidine (CHEBI:46775) cotinine N-oxide (CHEBI:89087) is a pyridine N-oxides (CHEBI:38189) cotinine N-oxide (CHEBI:89087) is a pyrrolidin-2-ones (CHEBI:74223) IUPAC Name (5S)-1-methyl-5-(1-oxo-1λ5-pyridin-3-yl)pyrrolidin-2-one Synonyms Sources (−)-cotinine N-oxide ChEBI (5S)-1-methyl-5-(1-oxido-3-pyridinyl)-2-pyrrolidinone HMDB (S)-1-methyl-5-(1-oxido-3-pyridinyl)-2-Pyrrolidinone HMDB (S)-1-methyl-5-(3-pyridinyl)-2-Pyrrolidinone N-oxide HMDB 3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-olate HMDB Cotinine-N-oxide HMDB Manual Xrefs Databases CPD-3185 MetaCyc HMDB0001411 HMDB View more database links Registry Numbers Types Sources 36508-80-2 CAS Registry Number ChemIDplus 6479802 Reaxys Registry Number Reaxys Citations Types Sources 1478978 PubMed citation Europe PMC 15109883 PubMed citation Europe PMC 1521032 PubMed citation Europe PMC 15472033 PubMed citation Europe PMC 16359169 PubMed citation Europe PMC 17640086 PubMed citation Europe PMC 19065315 PubMed citation Europe PMC 19466395 PubMed citation Europe PMC 20097626 PubMed citation Europe PMC 20301889 PubMed citation Europe PMC 20822672 PubMed citation Europe PMC 20980010 PubMed citation Europe PMC 21452992 PubMed citation Europe PMC 21719221 PubMed citation Europe PMC 23022114 PubMed citation Europe PMC 23318728 PubMed citation Europe PMC 23737496 PubMed citation Europe PMC 23983622 PubMed citation Europe PMC 24755743 PubMed citation Europe PMC 24968308 PubMed citation Europe PMC 25013964 PubMed citation Europe PMC 25304849 PubMed citation Europe PMC 26721601 PubMed citation Europe PMC 27480511 PubMed citation Europe PMC 3443673 PubMed citation Europe PMC 4625531 PubMed citation Europe PMC 8294547 PubMed citation Europe PMC Last Modified 28 April 2020