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

ChEBI IDCHEBI:59806
ChEBI Name(S)-nicotinium(1+)
Stars
ASCII Name(S)-nicotinium(1+)
DefinitionThe conjugate acid of (S)-nicotine arising from selective protonation of the tertiary amino group; major species at pH 7.3.
Last Modified13 April 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC10H15N2
Net Charge+1
Average Mass163.244
Monoisotopic Mass163.12297
SMILES[H][C@@]1(c2cccnc2)CCC[NH+]1C
InChIInChI=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
InChIKeySNICXCGAKADSCV-JTQLQIEISA-O
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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
Synonym  Source
(S)-nicotinium cationChEBI
UniProt Name  Source
(S)-nicotineUniProt
Manual XrefsDatabases
NICOTINEMetaCyc
Registry NumbersSources
Gmelin:329042Gmelin