KEGG   COMPOUND: C20690
Entry
C20690                      Compound                               

Name
1D-myo-Inositol 1,5-bis(diphosphate) 2,3,4,6-tetrakisphosphate
Formula
C6H20O30P8
Exact mass
819.794
Mol weight
819.9951
Structure
Reaction
Pathway
map04070  Phosphatidylinositol signaling system
Enzyme
2.7.4.21        2.7.4.24
Other DBs
PubChem: 172232410
PDB-CCD: I8P[PDBj]
KCF data

ATOM        44
            1   O1c O    13.8638  -19.0381
            2   P1b P    15.2534  -19.0323
            3   O1c O    16.6395  -19.0323
            4   O2b O    15.2534  -17.6451
            5   O1c O    15.2534  -20.4196
            6   P1b P    17.8229  -12.0131
            7   O2b O    17.8171  -13.3963
            8   O1c O    16.4382  -12.0189
            9   O1c O    17.8171  -10.6215
            10  O1c O    19.2145  -12.0131
            11  O2b O    17.8171  -18.9471
            12  P1b P    20.4570  -13.3816
            13  O2b O    20.4512  -14.7650
            14  O1c O    19.0724  -13.3873
            15  O1c O    20.4512  -11.9900
            16  O2c O    21.8486  -13.3816
            17  C1y C    19.0289  -15.4585
            18  C1y C    19.0289  -16.8533
            19  C1y C    17.8171  -14.7797
            20  C1y C    17.8171  -17.5638
            21  O2b O    20.2291  -17.5521
            22  C1y C    16.6297  -15.4585
            23  C1y C    16.6297  -16.8533
            24  P1b P    21.6149  -17.5464
            25  O2b O    15.4211  -14.7656
            26  O1c O    22.9984  -17.5464
            27  O1c O    21.6149  -16.1630
            28  O1c O    21.6149  -18.9378
            29  P1b P    14.0379  -14.7540
            30  O2c O    12.6463  -14.7540
            31  O1c O    14.0436  -13.3623
            32  O1c O    14.1020  -16.1372
            33  P1b P    17.8171  -20.3471
            34  O1c O    17.8171  -21.7471
            35  O1c O    19.2171  -20.3471
            36  O1c O    16.4171  -20.3471
            37  P1b P    23.2486  -13.3816
            38  O1c O    24.6486  -13.3816
            39  O1c O    23.2486  -11.9816
            40  O1c O    23.2486  -14.7816
            41  P1b P    11.2463  -14.7540
            42  O1c O     9.8463  -14.7540
            43  O1c O    11.2463  -13.3540
            44  O1c O    11.2463  -16.1540
BOND        44
            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 #Up
            14   17  18 1
            15   17  19 1
            16   18  20 1
            17   18  21 1 #Down
            18   19  22 1
            19   19   7 1 #Down
            20   20  23 1
            21   20  11 1 #Up
            22   21  24 1
            23   22  25 1 #Up
            24   23   4 1 #Up
            25   24  26 1
            26   24  27 1
            27   24  28 2
            28   25  29 1
            29   29  30 1
            30   29  31 1
            31   29  32 2
            32   22  23 1
            33   11  33 1
            34   33  34 1
            35   33  35 1
            36   33  36 2
            37   16  37 1
            38   37  38 2
            39   37  39 1
            40   37  40 1
            41   30  41 1
            42   41  42 1
            43   41  43 1
            44   41  44 2

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