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: 
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
Target-based classification of compounds [BR:br08010]
 Ion channels
  Cys-loop superfamily
   Acetylcholine (nicotinic)
    nicotinic cholinergic receptor
     C00745  Nicotine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BA Drugs used in nicotine dependence
     N07BA01 Nicotine
      D03365  Nicotine (USP)
USP drug classification [BR:br08302]
 Anti-Addiction/Substance Abuse Treatment Agents
  Smoking Cessation Agents
   Nicotine
    D03365  Nicotine (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  79  Other agents not mainly for therapeutic purpose
   799  Miscellaneous
    7990  Miscellaneous
     D03365  Nicotine (USP)
Classification of Japanese OTC drugs [BR:br08313]
 Stop smoking aid
  77 Stop smoking aid
   D03365  Nicotine (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Category 1
  Inorganic and organic chemicals
   Nicotine
    D03365  Nicotine (USP)
 Specified Category 2
  Inorganic and organic chemicals
   Nicotine
    D03365  Nicotine (USP)
 Category 2
  Inorganic and organic chemicals
   Nicotine
    D03365  Nicotine (USP)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP1A2
   Nicotine
    D03365  Nicotine (USP)
  CYP2A6
   Nicotine
    D03365  Nicotine (USP)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from nicotinic acid
   Pyridine alkaloids
    D03365  Nicotine (USP)
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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