COMPOUND: C06149
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Entry
C06149 Compound
Name
6-(3'-Triphosphoryl-1'-methylglyceryl)-7-methyl-7,8-dihydrobiopterin
Formula
C11H20N5O13P3
Exact mass
523.027
Mol weight
523.2235
Structure
Mol file
KCF file
DB search
Reaction
R05122
Other DBs
PubChem:
8405
3DMET:
B05167
NIKKAJI:
J2.761.608I
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KCF data
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ATOM 32
1 C8y C 20.5076 -20.2661
2 C8y C 20.5076 -21.6641
3 N2x N 21.7059 -19.5574
4 C8y C 19.2900 -19.5637
5 N1x N 21.7059 -22.3663
6 N5x N 19.2900 -22.3663
7 C2y C 22.9106 -20.2532
8 N4x N 18.0787 -20.2661
9 O5x O 19.3471 -18.1593
10 C1y C 22.9106 -21.6641
11 C8y C 18.0787 -21.6641
12 C1d C 24.1219 -19.5445
13 C1a C 24.3041 -22.5786
14 N1a N 16.8675 -22.3599
15 C1c C 25.3266 -20.2468
16 C1a C 23.4132 -18.3333
17 O1a O 24.8111 -18.3333
18 C1b C 26.5313 -19.5445
19 O1a O 25.3203 -21.6512
20 O2b O 27.7426 -20.2468
21 P1b P 29.1406 -20.2468
22 O2c O 30.5451 -20.2468
23 O1c O 29.1341 -18.8487
24 O1c O 29.1341 -21.6512
25 P1b P 31.9432 -20.2468
26 O2c O 33.3476 -20.2468
27 O1c O 31.9366 -18.8487
28 O1c O 31.9366 -21.6512
29 P1b P 34.7457 -20.2468
30 O1c O 36.1501 -20.2468
31 O1c O 34.7391 -18.8487
32 O1c O 34.7391 -21.6512
BOND 33
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 10 13 1
13 11 14 1
14 12 15 1
15 12 16 1
16 12 17 1
17 15 18 1
18 15 19 1
19 18 20 1
20 20 21 1
21 21 22 1
22 21 23 1
23 21 24 2
24 22 25 1
25 25 26 1
26 25 27 1
27 25 28 2
28 26 29 1
29 29 30 1
30 29 31 1
31 29 32 2
32 7 10 1
33 8 11 1
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