EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:17688 - (S)-nicotine
| Formula | C10H14N2 |
| Net Charge | 0 |
| Average Mass | 162.236 |
| Monoisotopic Mass | 162.11570 |
| SMILES | [H][C@@]1(c2cccnc2)CCCN1C |
| InChI | InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 |
| InChIKey | SNICXCGAKADSCV-JTQLQIEISA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nicotiana tabacum (ncbitaxon:4097) | - | PubMed (11559179) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | immunomodulator Biologically active substance whose activity affects or plays a role in the functioning of the immune system. nicotinic acetylcholine receptor agonist An agonist that selectively binds to and activates a nicotinic acetylcholine receptor. mitogen A chemical substance that encourages a cell to commence cell division, triggering mitosis. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. teratogenic agent A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect. neurotoxin A poison that interferes with the functions of the nervous system. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | immunomodulator Biologically active substance whose activity affects or plays a role in the functioning of the immune system. phytogenic insecticide An insecticide compound naturally occurring in plants. psychotropic drug A loosely defined grouping of drugs that have effects on psychological function. anxiolytic drug Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. nicotinic acetylcholine receptor agonist An agonist that selectively binds to and activates a nicotinic acetylcholine receptor. peripheral nervous system drug A drug that acts principally at one or more sites within the peripheral neuroeffector systems, the autonomic system, and motor nerve-skeletal system. biomarker A substance used as an indicator of a biological state. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-nicotine (CHEBI:17688) has role anxiolytic drug (CHEBI:35474) |
| (S)-nicotine (CHEBI:17688) has role biomarker (CHEBI:59163) |
| (S)-nicotine (CHEBI:17688) has role immunomodulator (CHEBI:50846) |
| (S)-nicotine (CHEBI:17688) has role mitogen (CHEBI:52290) |
| (S)-nicotine (CHEBI:17688) has role neurotoxin (CHEBI:50910) |
| (S)-nicotine (CHEBI:17688) has role nicotinic acetylcholine receptor agonist (CHEBI:47958) |
| (S)-nicotine (CHEBI:17688) has role peripheral nervous system drug (CHEBI:49110) |
| (S)-nicotine (CHEBI:17688) has role phytogenic insecticide (CHEBI:22917) |
| (S)-nicotine (CHEBI:17688) has role plant metabolite (CHEBI:76924) |
| (S)-nicotine (CHEBI:17688) has role psychotropic drug (CHEBI:35471) |
| (S)-nicotine (CHEBI:17688) has role teratogenic agent (CHEBI:50905) |
| (S)-nicotine (CHEBI:17688) has role xenobiotic (CHEBI:35703) |
| (S)-nicotine (CHEBI:17688) is a 3-(1-methylpyrrolidin-2-yl)pyridine (CHEBI:138000) |
| (S)-nicotine (CHEBI:17688) is conjugate base of (S)-nicotinium(1+) (CHEBI:59806) |
| (S)-nicotine (CHEBI:17688) is enantiomer of (R)-nicotine (CHEBI:39162) |
| Incoming Relation(s) |
| (S)-6-hydroxynicotine (CHEBI:17532) has functional parent (S)-nicotine (CHEBI:17688) |
| (S)-nicotine N1'-oxide (CHEBI:142659) has functional parent (S)-nicotine (CHEBI:17688) |
| (S)-nicotine 1-N-oxide (CHEBI:132572) has functional parent (S)-nicotine (CHEBI:17688) |
| (S)-nicotinium N-α-D-glucosiduronate (CHEBI:63860) has functional parent (S)-nicotine (CHEBI:17688) |
| nicotine (CHEBI:18723) has part (S)-nicotine (CHEBI:17688) |
| (S)-nicotinium(1+) (CHEBI:59806) is conjugate acid of (S)-nicotine (CHEBI:17688) |
| (R)-nicotine (CHEBI:39162) is enantiomer of (S)-nicotine (CHEBI:17688) |
| IUPAC Name |
|---|
| 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
| Synonyms | Source |
|---|---|
| Nicotine | KEGG COMPOUND |
| (S)-3-(1-methylpyrrolidin-2-yl)pyridine | KEGG COMPOUND |
| (−)-nicotine | ChemIDplus |
| (S)-nicotine | ChemIDplus |
| L(−)-nicotine | IUBMB |
| (S)-3-(N-methylpyrrolidin-2-yl)pyridine | IUBMB |
| Citations |
|---|