COMPOUND: C21144
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Entry
C21144 Compound
Name
1,3,7-Trimethyl-5-hydroxyisourate
Formula
C8H10N4O4
Exact mass
226.0702
Mol weight
226.19
Structure
Mol file
KCF file
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Reaction
R11153
Pathway
map00232
Caffeine metabolism
map01120
Microbial metabolism in diverse environments
Enzyme
1.14.13.212
Other DBs
PubChem:
313046624
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KCF data
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ATOM 16
1 C1z C 18.5721 -15.4275
2 C2y C 18.5721 -16.8533
3 C5x C 19.7760 -14.7202
4 N1y N 17.2689 -14.9950
5 N1y N 19.7760 -17.5371
6 N2x N 17.2689 -17.2859
7 N1y N 20.9974 -15.4567
8 O5x O 19.7760 -13.3411
9 C5x C 16.4508 -16.1521
10 C1a C 16.8364 -13.6683
11 C5x C 20.9974 -16.8008
12 C1a C 19.7760 -18.9690
13 C1a C 22.2188 -14.7730
14 O5x O 22.2479 -17.5021
15 O5x O 15.0554 -16.1588
16 O1a O 18.5721 -14.0275
BOND 17
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
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
17 1 16 1
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