loading...| Preferred Name |
(-)-cotinine |
|
| Synonyms |
(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one cotinine cotinina (S)-Cotinine (S)-(-)-Cotinine (S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone 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 |
Wikipedia:Cotinine PMID:22489581 PMID:22180597 PMID:22200307 Reaxys:83099 PMID:22770225 PMID:22434216 CAS:486-56-6 Reaxys:5736575 PMID:22678157 PMID:23011941 PMID:22871902 PMID:23087643 HMDB:HMDB0001046 PMID:21953524 PMID:21655912 PMID:22899265 PMID:22460317 Drug_Central:737 PMID:22244928 PMID:22809871 PMID:22608097 MetaCyc:CPD-2742 PMID:22878732 PMID:23000417 PMID:22574797 PMID:22487419 PMID:22687995 PMID:22027507 PMID:22919158 PMID:22137886 LINCS:LSM-5986 PMID:22253001 KNApSAcK:C00034470 PMID:14700346 PMID:22169225 |
|
| 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 role |
http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_59163 |
|
| has_exact_synonym |
(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
cotinine cotinina (S)-Cotinine (S)-(-)-Cotinine (S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone 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 |
|
| smiles |
[H][C@]1(CCC(=O)N1C)c1cccnc1 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_26421 http://purl.obolibrary.org/obo/CHEBI_26456 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26421 http://purl.obolibrary.org/obo/CHEBI_26456 |