KEGG   COMPOUND: C16357Help
Entry
C16357                      Compound                               

Name
3-Methylxanthine
Formula
C6H6N4O2
Exact mass
166.0491
Mol weight
166.1374
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Caffeine metabolism
Metabolic pathways
Biosynthesis of secondary metabolites
Microbial metabolism in diverse environments
Enzyme
1.13.12.-       1.14.13.178     1.14.13.179
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Others
   Purine alkaloids
    C16357  3-Methylxanthine
BRITE hierarchy
Other DBs
CAS: 
1076-22-8
PubChem: 
ChEBI: 
KNApSAcK: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   C8y C    28.4900  -25.4800
            2   C8y C    28.4900  -24.0800
            3   N4y N    29.7500  -26.1800
            4   N5x N    27.2300  -25.9700
            5   C8y C    29.7500  -23.3800
            6   N4x N    27.2300  -23.6600
            7   C8y C    30.9400  -25.4800
            8   C1a C    29.7500  -27.6500
            9   C8x C    26.3900  -24.7800
            10  N4x N    30.9400  -24.0800
            11  O5x O    29.7500  -21.9800
            12  O5x O    32.2000  -26.1800
BOND        13
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    7  12 2
            12    6   9 1
            13    7  10 1

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