COMPOUND: C15990
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Entry
C15990 Compound
Name
1L-myo-Inositol 1,2,3,4,6-pentakisphosphate;
myo-Inositol 1,2,3,4,6-pentakisphosphate
Formula
C6H17O21P5
Exact mass
579.895
Mol weight
580.0554
Structure
Mol file
KCF file
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Reaction
R07583
Enzyme
3.1.3.72
Other DBs
PubChem:
47205303
ChEBI:
11369
NIKKAJI:
J700.547D
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KCF data
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ATOM 32
1 O1c O 19.4294 -17.2063
2 P1b P 20.8237 -17.2063
3 O1c O 22.2179 -17.2063
4 O2b O 20.8237 -18.6005
5 O1c O 20.8237 -15.8121
6 P1b P 23.6113 -24.1079
7 O2b O 23.6113 -22.8530
8 O1c O 22.2170 -24.1079
9 O1c O 23.6113 -25.5022
10 O1c O 24.8661 -24.1079
11 O2b O 23.6113 -17.2760
12 P1b P 26.3985 -22.8530
13 O2b O 26.3985 -21.4588
14 O1c O 25.0042 -22.8530
15 O1c O 26.3985 -24.1776
16 O1c O 27.7928 -22.8530
17 C1y C 24.7266 -20.7617
18 C1y C 24.7266 -19.3675
19 C1y C 23.6113 -21.4588
20 C1y C 23.6113 -18.6702
21 O1a O 25.9118 -18.6702
22 C1y C 22.4261 -20.7617
23 C1y C 22.4261 -19.3675
24 O2b O 21.1712 -21.4588
25 P1b P 19.8467 -21.4588
26 O1c O 18.4525 -21.4588
27 O1c O 19.8467 -22.8530
28 O1c O 19.8464 -20.0646
29 P1b P 23.6113 -15.8818
30 O1c O 23.6113 -14.4874
31 O1c O 25.0055 -15.8818
32 O1c O 22.2170 -15.8818
BOND 32
1 2 5 1
2 6 7 1
3 6 8 1
4 6 9 1
5 6 10 2
6 1 2 1
7 2 3 2
8 2 4 1
9 12 13 1
10 12 14 2
11 12 15 1
12 12 16 1
13 17 13 1 #Down
14 17 18 1
15 17 19 1
16 18 20 1
17 18 21 1 #Up
18 19 22 1
19 19 7 1 #Up
20 20 23 1
21 20 11 1 #Down
22 22 24 1 #Up
23 23 4 1 #Up
24 24 25 1
25 25 26 1
26 25 27 1
27 25 28 2
28 22 23 1
29 11 29 1
30 29 30 1
31 29 31 1
32 29 32 2
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