KEGG   COMPOUND: C16358Help
Entry
C16358                      Compound                               

Name
1-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     1.14.14.1       
1.17.3.2
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Others
   Purine alkaloids
    C16358  1-Methylxanthine
BRITE hierarchy
Other DBs
CAS: 
6136-37-4
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   C8y C    28.5248  -24.0682
            2   C8y C    28.5248  -25.4918
            3   C8y C    29.7267  -23.3623
            4   N4x N    27.2237  -23.6364
            5   N4x N    29.7267  -26.1744
            6   N5x N    27.2237  -25.9236
            7   N4y N    30.9461  -24.0974
            8   O5x O    29.7267  -21.9853
            9   C8x C    26.4069  -24.7917
            10  C8y C    30.9461  -25.4394
            11  C1a C    32.1946  -23.4206
            12  O5x O    32.1946  -26.1394
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 2
            8     4   9 1
            9     5  10 1
            10    7  11 1
            11   10  12 2
            12    6   9 2
            13    7  10 1

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