KEGG   COMPOUND: C22852
Entry
C22852                      Compound                               
Name
1D-myo-Inositol 1,2,6-trisphosphate
Formula
C6H15O15P3
Exact mass
419.9624
Mol weight
420.10
Structure
Reaction
Enzyme
Other DBs
PubChem: 497620205
LinkDB
KCF data

ATOM        24
            1   O1c O    15.3013  -19.4880
            2   P1b P    16.6881  -19.4822
            3   O2b O    16.6881  -18.0976
            4   O1c O    16.6881  -20.8667
            5   P1b P    19.2524  -12.4769
            6   O2b O    19.2467  -13.8573
            7   O1c O    17.8705  -12.4827
            8   O1c O    19.2467  -11.0881
            9   O1c O    20.6414  -12.4769
            10  O1a O    19.2467  -19.3971
            11  O1a O    21.8755  -15.2234
            12  C1y C    20.4560  -15.9154
            13  C1y C    20.4560  -17.3074
            14  C1y C    19.2467  -15.2380
            15  C1y C    19.2467  -18.0166
            16  O1a O    21.6538  -18.0049
            17  C1y C    18.0616  -15.9154
            18  C1y C    18.0616  -17.3074
            19  O2b O    16.8554  -15.2240
            20  P1b P    15.4750  -15.2124
            21  O1c O    14.0862  -15.2124
            22  O1c O    15.4807  -13.8234
            23  O1c O    15.5390  -16.5928
            24  O1c O    18.0921  -19.4822
BOND        24
            1     2   4 1
            2     5   6 1
            3     5   7 1
            4     5   8 1
            5     5   9 2
            6     1   2 1
            7     2   3 1
            8    12  11 1 #Up
            9    12  13 1
            10   12  14 1
            11   13  15 1
            12   13  16 1 #Down
            13   14  17 1
            14   14   6 1 #Down
            15   15  18 1
            16   15  10 1 #Up
            17   17  19 1 #Up
            18   18   3 1 #Up
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   17  18 1
            24    2  24 2

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