KEGG   COMPOUND: C16359Help
Entry
C16359                      Compound                               

Name
1-Methyluric acid
Formula
C6H6N4O3
Exact mass
182.044
Mol weight
182.1368
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00232  Caffeine metabolism
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Others
   Purine alkaloids
    C16359  1-Methyluric acid
BRITE hierarchy
Other DBs
CAS: 708-79-2
PubChem: 47205667
ChEBI: 68441
ChEMBL: CHEMBL793
NIKKAJI: J94.928K
KCF data Show

ATOM        13
            1   C8y C    28.5015  -24.7376
            2   C8y C    28.5015  -26.1635
            3   C8y C    29.7054  -24.0305
            4   N4x N    27.1983  -24.3051
            5   N4x N    29.7054  -26.8472
            6   N4x N    27.1983  -26.5960
            7   N4y N    30.9267  -24.7668
            8   O5x O    29.7054  -22.6513
            9   C8y C    26.3801  -25.4623
            10  C8y C    30.9267  -26.1110
            11  C1a C    32.1773  -24.0889
            12  O5x O    32.1773  -26.8122
            13  O5x O    24.9900  -25.4691
BOND        14
            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 1
            13    7  10 1
            14    9  13 2

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