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CHEBI:68641 - (−)-cotinine
| Formula | C10H12N2O |
| Net Charge | 0 |
| Average Mass | 176.219 |
| Monoisotopic Mass | 176.09496 |
| SMILES | [H][C@@]1(c2cccnc2)CCC(=O)N1C |
| 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 |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nicotiana tabacum (ncbitaxon:4097) | - | PubMed (18001808) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | biomarker A substance used as an indicator of a biological state. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (−)-cotinine (CHEBI:68641) has role antidepressant (CHEBI:35469) |
| (−)-cotinine (CHEBI:68641) has role biomarker (CHEBI:59163) |
| (−)-cotinine (CHEBI:68641) has role human xenobiotic metabolite (CHEBI:76967) |
| (−)-cotinine (CHEBI:68641) has role plant metabolite (CHEBI:76924) |
| (−)-cotinine (CHEBI:68641) is a N-alkylpyrrolidine (CHEBI:46775) |
| (−)-cotinine (CHEBI:68641) is a pyridines (CHEBI:26421) |
| (−)-cotinine (CHEBI:68641) is a pyrrolidin-2-ones (CHEBI:74223) |
| (−)-cotinine (CHEBI:68641) is a pyrrolidine alkaloid (CHEBI:26456) |
| Incoming Relation(s) |
| trans-3-hydroxycotinine (CHEBI:71182) has functional parent (−)-cotinine (CHEBI:68641) |
| IUPAC Name |
|---|
| (5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one |
| INNs | Source |
|---|---|
| cotinine | ChemIDplus |
| cotininum | ChemIDplus |
| cotinina | ChemIDplus |
| Synonyms | Source |
|---|---|
| cotinine | ChEBI |
| (S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone | ChemIDplus |
| (S)-(-)-Cotinine | ChemIDplus |
| (S)-Cotinine | ChemIDplus |
| Citations |
|---|