KEGG   COMPOUND: C15991
Entry
C15991                      Compound                               
Name
myo-Inositol pentakisphosphate
Formula
C6H17O21P5
Exact mass
579.895
Mol weight
580.0554
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 47205304
PDB-CCD: 5MY[PDBj] K7V[PDBj]
NIKKAJI: J2.799.873I
KCF data

ATOM        32
            1   O1c O    19.9095  -17.1975
            2   P1b P    21.3031  -17.1975
            3   O1c O    22.6966  -17.1975
            4   O2b O    21.3031  -18.5910
            5   O1c O    21.3031  -15.8040
            6   P1b P    24.0893  -24.0956
            7   O2b O    24.0893  -22.8414
            8   O1c O    22.6957  -24.0956
            9   O1c O    24.0893  -25.4892
            10  O1c O    25.3434  -24.0956
            11  O2b O    24.0893  -17.2672
            12  P1b P    26.8750  -22.8414
            13  O2b O    26.8750  -21.4479
            14  O1c O    25.4815  -22.8414
            15  O1c O    26.8750  -24.1653
            16  O1c O    28.2686  -22.8414
            17  C1y C    25.2040  -20.7511
            18  C1y C    25.2040  -19.3576
            19  C1y C    24.0893  -21.4479
            20  C1y C    24.0893  -18.6607
            21  O1a O    26.3886  -18.6607
            22  C1y C    22.9047  -20.7511
            23  C1y C    22.9047  -19.3576
            24  O2b O    21.6504  -21.4479
            25  P1b P    20.3266  -21.4479
            26  O1c O    18.9331  -21.4479
            27  O1c O    20.3266  -22.8414
            28  O1c O    20.3263  -20.0544
            29  P1b P    24.0893  -15.8737
            30  O1c O    24.0893  -14.4800
            31  O1c O    25.4828  -15.8737
            32  O1c O    22.6957  -15.8737
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
            14   17  18 1
            15   17  19 1
            16   18  20 1
            17   18  21 1
            18   19  22 1
            19   19   7 1
            20   20  23 1
            21   20  11 1
            22   22  24 1
            23   23   4 1
            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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