COMPOUND: C22853
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Entry
C22853 Compound
Name
1D-myo-Inositol 1,2-bisphosphate
Formula
C6H14O12P2
Exact mass
339.9961
Mol weight
340.12
Structure
Mol file
KCF file
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Reaction
R13245
R13246
Enzyme
3.1.3.62
Other DBs
PubChem:
497620206
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KCF data
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ATOM 20
1 O1c O 15.9742 -19.4476
2 P1b P 17.3585 -19.4476
3 O2b O 17.3585 -18.0655
4 O1c O 17.3585 -20.8297
5 O1a O 19.9126 -13.8327
6 O1a O 19.9126 -19.3627
7 O1a O 22.5367 -15.1964
8 C1y C 21.1197 -15.8872
9 C1y C 21.1197 -17.2767
10 C1y C 19.9126 -15.2110
11 C1y C 19.9126 -17.9846
12 O1a O 22.3154 -17.9730
13 C1y C 18.7296 -15.8872
14 C1y C 18.7296 -17.2767
15 O2b O 17.5255 -15.1854
16 P1b P 16.1475 -15.1854
17 O1c O 14.7612 -15.1854
18 O1c O 16.1475 -13.7989
19 O1c O 16.1475 -16.5634
20 O1c O 18.7600 -19.4476
BOND 20
1 2 4 1
2 1 2 1
3 2 3 1
4 8 7 1 #Up
5 8 9 1
6 8 10 1
7 9 11 1
8 9 12 1 #Down
9 10 13 1
10 10 5 1 #Down
11 11 14 1
12 11 6 1 #Up
13 13 15 1 #Up
14 14 3 1 #Up
15 15 16 1
16 16 17 1
17 16 18 1
18 16 19 2
19 13 14 1
20 2 20 2
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