KEGG   COMPOUND: C16362
Entry
C16362                      Compound                               

Name
3,6,8-Trimethylallantoin
Formula
C7H12N4O3
Exact mass
200.0909
Mol weight
200.1952
Structure
Reaction
Pathway
map00232  Caffeine metabolism
map01120  Microbial metabolism in diverse environments
Enzyme
Other DBs
CAS: 42794-72-9
PubChem: 47205670
ChEBI: 80471
NIKKAJI: J2.802.445B
KCF data

ATOM        14
            1   N1x N    40.1100   -9.5900
            2   C5x C    41.5100   -9.5900
            3   N1y N    41.9426   -8.2585
            4   C5x C    40.8100   -7.4356
            5   C1y C    39.6774   -8.2585
            6   O5x O    40.8100   -6.0200
            7   O5x O    42.3329  -10.7226
            8   N1c N    38.2774   -8.2585
            9   C1a C    37.5812   -7.0527
            10  C5a C    37.5799   -9.4666
            11  O5a O    36.1901   -9.4665
            12  N1b N    38.2753  -10.6708
            13  C1a C    37.5922  -11.8537
            14  C1a C    43.2622   -7.8297
BOND        14
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 2
            7     2   7 2
            8     5   8 1
            9     8   9 1
            10    8  10 1
            11   10  11 2
            12   10  12 1
            13   12  13 1
            14    3  14 1

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