KEGG   COMPOUND: C01004Help
Entry
C01004                      Compound                               

Name
N-Methylnicotinate;
Trigonelline;
Trigenelline;
1-Methylpyridinio-3-carboxylate;
Betaine nicotinate;
Caffearin;
Gynesine
Formula
C7H7NO2
Exact mass
137.0477
Mol weight
137.136
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Nicotinate and nicotinamide metabolism
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from nicotinic acid
   Pyridine alkaloids
    C01004  N-Methylnicotinate
Major components of natural products [BR:br08323]
 Crude drugs
  Benincasa seed
   C01004  N-Methylnicotinate
BRITE hierarchy
Other DBs
CAS: 
535-83-1
PubChem: 
ChEBI: 
KNApSAcK: 
NIKKAJI: 
KCF data Show

ATOM        10
            1   C8y C    22.1415  -16.8732
            2   C8x C    22.1415  -15.4640
            3   C8x C    20.9181  -17.5843
            4   C6a C    23.3458  -17.5650
            5   N5y N    20.9181  -14.7657 #+
            6   C8x C    19.7138  -16.8732
            7   O6a O    23.3521  -19.2415 #-
            8   O6a O    24.5501  -16.8669
            9   C8x C    19.7138  -15.4640
            10  C1a C    20.9116  -13.1659
BOND        10
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6   9 1

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