KEGG   COMPOUND: C16361
Entry
C16361                      Compound                               

Name
1,3,7-Trimethyluric acid;
1,3,7-Trimethylurate
Formula
C8H10N4O3
Exact mass
210.0753
Mol weight
210.19
Structure
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
Other DBs
CAS: 5415-44-1
PubChem: 47205669
ChEBI: 691622
ChEMBL: CHEMBL1767
PDB-CCD: EXU[PDBj]
NIKKAJI: J2.233K
LinkDB
KCF data

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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