CHEBI:59806 - (S)-nicotinium(1+)

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ChEBI Name (S)-nicotinium(1+)
ChEBI ID CHEBI:59806
ChEBI ASCII Name (S)-nicotinium(1+)
Definition The conjugate acid of (S)-nicotine arising from selective protonation of the tertiary amino group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
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Formula C10H15N2
Net Charge +1
Average Mass 163.23900
Monoisotopic Mass 163.12297
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/p+1/t10-/m0/s1
InChIKey SNICXCGAKADSCV-JTQLQIEISA-O
SMILES C[NH+]1CCC[C@H]1c1cccnc1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing (S)-nicotinium(1+) (CHEBI:59806) has role plant metabolite (CHEBI:76924)
(S)-nicotinium(1+) (CHEBI:59806) is a ammonium ion derivative (CHEBI:35274)
(S)-nicotinium(1+) (CHEBI:59806) is conjugate acid of (S)-nicotine (CHEBI:17688)
(S)-nicotinium(1+) (CHEBI:59806) is enantiomer of (R)-nicotinium(1+) (CHEBI:79008)
Incoming (S)-nicotine (CHEBI:17688) is conjugate base of (S)-nicotinium(1+) (CHEBI:59806)
(R)-nicotinium(1+) (CHEBI:79008) is enantiomer of (S)-nicotinium(1+) (CHEBI:59806)
IUPAC Name
(2S)-1-methyl-2-(pyridin-3-yl)pyrrolidinium
Synonyms Sources
(S)-nicotine UniProt
(S)-nicotinium cation ChEBI
Manual Xref Database
NICOTINE MetaCyc
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Registry Number Type Source
329042 Gmelin Registry Number Gmelin
Last Modified
13 April 2015