Metabolomics Structure Database

 
MW REGNO: 56181
Common Name:(R)-nicotine
Systematic Name:3-[(2R)-1-methylpyrrolidin-2-yl]pyridine
RefMet Name:(R)-Nicotine
Synonyms:(+)-nicotine; (R)-3-(1-methyl-2-pyrrolidinyl)pyridine; d-nicotine; pseudonicotine [PubChem Synonyms]
Exact Mass:
162.1157 (neutral)    Calculate m/z:
Formula:C10H14N2
InChIKey:SNICXCGAKADSCV-SNVBAGLBSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Pyridines and derivatives [C0000089]
ClassyFire subclass:Pyrrolidinylpyridines [C0001975]
ClassyFire direct parent:Pyrrolidinylpyridines [C0001975]
MoNA MS spectra:View MS spectra
SMILES:CN1CCC[C@@H]1c1cccnc1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:157672
CHEBI ID:39162
KEGG ID:C16386

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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