| | COMPOUND: C19799 | |
Entry |
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Name |
Bis(1L-myo-inositol)-3,1'-phosphate 1-phosphate
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Formula |
C12H24O17P2
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Exact mass |
502.0489
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Mol weight |
502.2563
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Structure |
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Reaction |
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Pathway |
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Enzyme |
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Other DBs |
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KCF data |
ATOM 31
1 P1b P 7.6224 -20.0585
2 O2b O 7.6159 -18.6741
3 O1c O 6.2380 -20.1220
4 O1c O 7.6224 -21.4492
5 C1y C 7.6159 -17.2897
6 C1y C 6.4165 -16.5816
7 C1y C 8.8345 -16.5816
8 C1y C 6.4165 -15.1780
9 O1a O 5.2109 -17.2706
10 C1y C 8.8345 -15.1780
11 O1a O 10.0276 -17.2706
12 C1y C 7.6159 -14.4890
13 O1a O 5.2109 -14.4955
14 O1a O 10.1360 -14.4126
15 O1a O 7.6159 -13.0983
16 P1b P 11.4532 -25.6406
17 O2b O 11.4468 -24.2622
18 O1c O 12.8570 -25.6406
19 O1c O 10.0748 -25.7039
20 O1c O 11.4532 -27.0254
21 C1y C 11.4468 -22.8837
22 C1y C 10.2525 -22.1786
23 C1y C 12.6602 -22.1786
24 C1y C 10.2525 -20.7810
25 O1a O 9.0521 -22.8647
26 C1y C 12.6602 -20.7810
27 O1a O 13.8482 -22.8647
28 C1y C 11.4468 -20.0950
29 O2b O 9.0521 -20.1014
30 O1a O 13.9561 -20.0189
31 O1a O 11.4468 -18.7102
BOND 32
1 1 2 1
2 1 3 1
3 1 4 2
4 5 2 1 #Up
5 5 6 1
6 5 7 1
7 6 8 1
8 6 9 1 #Up
9 7 10 1
10 7 11 1 #Down
11 8 12 1
12 8 13 1 #Up
13 10 14 1 #Up
14 12 15 1 #Down
15 10 12 1
16 16 17 1
17 16 18 1
18 16 19 1
19 16 20 2
20 21 17 1 #Up
21 21 22 1
22 21 23 1
23 22 24 1
24 22 25 1 #Up
25 23 26 1
26 23 27 1 #Down
27 24 28 1
28 24 29 1 #Up
29 26 30 1 #Up
30 28 31 1 #Down
31 26 28 1
32 1 29 1
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