KEGG   COMPOUND: C16356Help
Entry
C16356                      Compound                               

Name
1,7-Dimethyluric acid
Formula
C7H8N4O3
Exact mass
196.0596
Mol weight
196.1634
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00232  Caffeine metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-       1.14.14.1       1.17.3.2
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Others
   Purine alkaloids
    C16356  1,7-Dimethyluric acid
BRITE hierarchy
Other DBs
CAS: 33868-03-0
PubChem: 47205664
ChEBI: 68449
ChEMBL: CHEMBL794
NIKKAJI: J308.550C
KCF data Show

ATOM        14
            1   C8y C    29.2167  -26.1560
            2   N4x N    27.8951  -26.5734
            3   C8y C    29.2167  -24.6952
            4   N4x N    30.3993  -26.8516
            5   C8y C    27.0603  -25.3908
            6   N4y N    27.8951  -24.2779
            7   C8y C    30.3993  -23.9996
            8   C8y C    31.6514  -26.1560
            9   N4y N    31.6514  -24.6952
            10  O5x O    30.3988  -22.7475
            11  O5x O    32.8339  -26.7821
            12  C1a C    27.4081  -22.8866
            13  O5x O    25.6691  -25.4604
            14  C1a C    32.8431  -23.9941
BOND        15
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            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
            14    5  13 2
            15    9  14 1

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