KEGG   COMPOUND: C00745Help
Entry
C00745                      Compound                               

Name
Nicotine;
(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;
(S)-Nicotine
Formula
C10H14N2
Exact mass
162.1157
Mol weight
162.2316
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Comment
Source: Solanaceae [TAX:4070], Nicotiana tabacum [TAX:4097]
See (R)-Nicotine [CPD:C16386]
insecticide
Reaction
Pathway
Tropane, piperidine and pyridine alkaloid biosynthesis
Metabolism of xenobiotics by cytochrome P450
Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
Metabolic pathways
Biosynthesis of secondary metabolites
Nicotine addiction
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from nicotinic acid
   Pyridine alkaloids
    C00745  Nicotine
Pesticides [BR:br08007]
 Pesticides
  Insecticides
   Others
    C00745  Nicotine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Others
    C00745  Nicotine
BRITE hierarchy
Other DBs
CAS: 
54-11-5
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   C8x C    29.1900  -17.5700
            2   C8x C    29.1900  -18.9700
            3   N5x N    30.3800  -19.6700
            4   C8x C    31.6400  -18.9700
            5   C8y C    31.6400  -17.5700
            6   C8x C    30.3800  -16.8700
            7   C1y C    32.8300  -16.8700
            8   C1x C    34.1600  -17.2200
            9   C1x C    35.0000  -16.1000
            10  C1x C    34.0900  -14.9800
            11  N1y N    32.8300  -15.4700
            12  C1a C    31.6400  -14.7000
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   5 1 #Up
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  11 1
            13   11  12 1

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