KEGG   COMPOUND: C16353
Entry
C16353                      Compound                               

Name
7-Methylxanthine
Formula
C6H6N4O2
Exact mass
166.0491
Mol weight
166.1374
Structure
Reaction
Pathway
map00232  Caffeine metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
Module
M00915  Caffeine degradation, caffeine => xanthine
Enzyme
1.14.13.128     1.14.13.178     1.14.13.179     1.17.3.2        
2.1.1.159       2.1.1.160       3.2.2.25
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Others
   Purine alkaloids
    C16353  7-Methylxanthine
Other DBs
CAS: 552-62-5
PubChem: 47205661
ChEBI: 48991
ChEMBL: CHEMBL321248
KNApSAcK: C00007326
NIKKAJI: J1.614D
LinkDB
KCF data

ATOM        12
            1   C8y C    24.2200  -18.1300
            2   N5x N    22.8200  -18.5500
            3   C8y C    24.2200  -16.7300
            4   N4x N    25.4100  -18.8300
            5   C8x C    22.0500  -17.4300
            6   N4y N    22.8200  -16.3100
            7   C8y C    25.4100  -16.0300
            8   C8y C    26.6000  -18.1300
            9   N4x N    26.6000  -16.7300
            10  O5x O    25.4100  -14.7700
            11  O5x O    27.8600  -18.8300
            12  C1a C    22.4000  -14.9100
BOND        13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     7   9 1
            9     7  10 2
            10    8  11 2
            11    5   6 1
            12    8   9 1
            13    6  12 1

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