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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: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. 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 |
|---|---|
| cotinina | ChemIDplus |
| cotinine | ChemIDplus |
| cotininum | ChemIDplus |
| Synonyms | Source |
|---|---|
| cotinine | ChEBI |
| (S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone | ChemIDplus |
| (S)-(-)-Cotinine | ChemIDplus |
| (S)-Cotinine | ChemIDplus |
| Citations |
|---|