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ID	http://purl.obolibrary.org/obo/CHEBI_68641 http://purl.obolibrary.org/obo/CHEBI_68641 https://agroportal.lirmm.fr/ontologies/EFO/CHEBI_68641 Loading
Preferred name	(-)-cotinine
Synonyms	(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one (S)-(-)-Cotinine (S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone (S)-Cotinine cotinina cotinine cotininum See more See less
Definitions	An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum.

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
rdfs:label	(-)-cotinine
skos:notation	CHEBI:68641
obo_purl:IAO_0000115	An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum.
oboinowl_gen:hasExactSynonym	(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
oboinowl_gen:hasDbXref	PMID:22770225 CAS:486-56-6 Drug_Central:737 HMDB:HMDB0001046 KNApSAcK:C00034470 LINCS:LSM-5986 MetaCyc:CPD-2742 PMID:14700346 PMID:21655912 PMID:21953524 PMID:22027507 PMID:22137886 PMID:22169225 PMID:22180597 PMID:22200307 PMID:22244928 PMID:22253001 PMID:22434216 PMID:22460317 PMID:22487419 PMID:22489581 PMID:22574797 PMID:22608097 PMID:22678157 PMID:22687995 PMID:22809871 PMID:22871902 PMID:22878732 PMID:22899265 PMID:22919158 PMID:23000417 PMID:23011941 PMID:23087643 Reaxys:5736575 Reaxys:83099 Wikipedia:Cotinine See more See less
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:68641
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR Loading
oboinowl_gen:hasRelatedSynonym	(S)-(-)-Cotinine (S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone (S)-Cotinine cotinina cotinine cotininum See more See less
obo_purl:charge	0
obo_purl:formula	C10H12N2O
obo_purl:inchi	InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
obo_purl:inchikey	UIKROCXWUNQSPJ-VIFPVBQESA-N
obo_purl:mass	176.21510
obo_purl:monoisotopicmass	176.09496
obo_purl:smiles	[H][C@]1(CCC(=O)N1C)c1cccnc1

Subject	Author	Type	Created
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