KEGG   COMPOUND: C22853
Entry
C22853                      Compound                               
Name
1D-myo-Inositol 1,2-bisphosphate
Formula
C6H14O12P2
Exact mass
339.9961
Mol weight
340.12
Structure
Reaction
Enzyme
Other DBs
PubChem: 497620206
LinkDB
KCF data

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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