KEGG   COMPOUND: C16361Help
Entry
C16361                      Compound                               

Name
1,3,7-Trimethyluric acid;
1,3,7-Trimethylurate
Formula
C8H10N4O3
Exact mass
210.0753
Mol weight
210.19
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00232  Caffeine metabolism
map01120  Microbial metabolism in diverse environments
Enzyme
1.7.3.3         1.14.13.212     1.17.5.2
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Others
   Purine alkaloids
    C16361  1,3,7-Trimethyluric acid
BRITE hierarchy
Other DBs
CAS: 5415-44-1
PubChem: 47205669
ChEBI: 691622
ChEMBL: CHEMBL1767
NIKKAJI: J2.233K
LinkDB All DBs
KCF data Show

ATOM        15
            1   C8y C    28.5061  -24.0324
            2   C8y C    28.5061  -25.4579
            3   C8y C    29.7097  -23.3253
            4   N4y N    27.2031  -23.6000
            5   N4y N    29.7097  -26.1416
            6   N4x N    27.2031  -25.8904
            7   N4y N    30.9308  -24.0616
            8   O5x O    29.7097  -21.9464
            9   C8y C    26.3852  -24.7568
            10  C1a C    26.7707  -22.2736
            11  C8y C    30.9308  -25.4054
            12  C1a C    29.7097  -27.5731
            13  C1a C    32.1520  -23.3780
            14  O5x O    32.1811  -26.1066
            15  O5x O    24.9901  -24.7635
BOND        16
            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     4  10 1
            10    5  11 1
            11    5  12 1
            12    7  13 1
            13   11  14 2
            14    6   9 1
            15    7  11 1
            16    9  15 2

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