Preferred Name |
(-)-cotinine |
|
Synonyms |
(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one (S)-Cotinine (S)-(-)-Cotinine (S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone cotinina cotinine cotininum |
|
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. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_68641 |
|
charge |
0 |
|
database_cross_reference |
Reaxys:5736575 PMID:22899265 PMID:21655912 PMID:23087643 KNApSAcK:C00034470 PMID:22919158 PMID:22678157 PMID:22878732 PMID:22871902 PMID:22434216 PMID:22487419 PMID:22027507 PMID:22608097 PMID:22244928 PMID:22687995 CAS:486-56-6 Wikipedia:Cotinine PMID:22809871 PMID:23011941 PMID:22460317 PMID:22489581 HMDB:HMDB0001046 Reaxys:83099 PMID:22574797 PMID:22180597 LINCS:LSM-5986 MetaCyc:CPD-2742 PMID:22770225 PMID:22200307 PMID:22169225 PMID:23000417 PMID:21953524 PMID:22253001 Drug_Central:737 PMID:22137886 PMID:14700346 |
|
definition |
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. |
|
formula |
C10H12N2O |
|
has_exact_synonym |
(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
(S)-Cotinine (S)-(-)-Cotinine (S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone cotinina cotinine cotininum |
|
id |
CHEBI:68641 |
|
in_subset | ||
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 |
|
inchikey |
UIKROCXWUNQSPJ-VIFPVBQESA-N |
|
label |
(-)-cotinine |
|
mass |
176.21510 |
|
monoisotopicmass |
176.09496 |
|
notation |
CHEBI:68641 |
|
prefLabel |
(-)-cotinine |
|
RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_59163 |
|
smiles |
[H][C@]1(CCC(=O)N1C)c1cccnc1 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26421 http://purl.obolibrary.org/obo/CHEBI_26456 |