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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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
Supplier Information
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Molfile
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.
View more via ChEBI Ontology
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
(2
S
)-1-methyl-2-(pyridin-3-yl)pyrrolidinium
Synonyms
Sources
(
S
)-nicotine
UniProt
(
S
)-nicotinium cation
ChEBI
Manual Xref
Database
NICOTINE
MetaCyc
View more database links
Registry Number
Type
Source
329042
Gmelin Registry Number
Gmelin
Last Modified
13 April 2015