KEGG   COMPOUND: C11174
Entry
C11174                      Compound                               

Name
1-Diphosinositol pentakisphosphate;
D-myo-Inositol, 2,3,4,5,6-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate);
Diphospho-myo-inositol pentakisphosphate;
1D-myo-Inositol 1-diphosphate 2,3,4,5,6-pentakisphosphate
Formula
C6H19O27P7
Exact mass
739.8277
Mol weight
740.0152
Structure
Reaction
Pathway
map04070  Phosphatidylinositol signaling system
Enzyme
2.7.4.21        2.7.4.24
Other DBs
CAS: 148077-18-3
PubChem: 13356
ChEBI: 62919
ChEMBL: CHEMBL4293256
PDB-CCD: O81[PDBj]
NIKKAJI: J1.026.048E
KCF data

ATOM        40
            1   O2c O    29.0264  -19.9791
            2   P1b P    30.3645  -20.0187
            3   O1c O    31.7025  -19.9891
            4   O1c O    30.3873  -21.3565
            5   O1c O    30.3484  -18.6810
            6   O2b O    26.3560  -19.9680
            7   P1b P    27.6941  -19.9375
            8   O1c O    27.7169  -21.2753
            9   O1c O    27.7480  -18.5999
            10  O1c O    22.7278  -22.6046
            11  P1b P    24.0660  -22.6442
            12  O1c O    25.4039  -22.6146
            13  O1c O    24.0887  -23.9820
            14  O2b O    24.0498  -21.3066
            15  O1c O    19.0477  -19.9636
            16  P1b P    20.3858  -19.9331
            17  O2b O    21.7237  -19.9735
            18  O1c O    20.3386  -21.2709
            19  O1c O    20.3696  -18.5956
            20  O1c O    19.7544  -17.4801
            21  O1c O    18.4325  -16.0941
            22  P1b P    19.7705  -16.1337
            23  O2b O    21.1086  -16.1741
            24  O1c O    19.7544  -14.7961
            25  O2b O    27.0321  -16.0941
            26  P1b P    28.3700  -16.1337
            27  O1c O    29.7082  -16.1741
            28  O1c O    28.3230  -17.4715
            29  O1c O    28.3539  -14.7961
            30  C1y C    22.8805  -17.9621
            31  C1y C    22.8805  -19.3008
            32  C1y C    24.0425  -19.9701
            33  C1y C    25.1978  -19.3008
            34  C1y C    25.1978  -17.9621
            35  C1y C    24.0425  -17.2928
            36  O2b O    24.0443  -15.9542
            37  P1b P    24.0365  -14.6156
            38  O1c O    24.0299  -13.2770
            39  O1c O    25.3751  -14.6156
            40  O1c O    22.6979  -14.6090
BOND        40
            1    11  12 1
            2    22  23 1
            3    22  20 2
            4     6   7 1
            5    22  24 1
            6    11  13 2
            7     7   1 1
            8    25  26 1
            9    11  14 1
            10   26  27 1
            11    2   4 1
            12   26  28 2
            13    7   8 1
            14   26  29 1
            15   15  16 1
            16   16  17 1
            17    7   9 2
            18   16  18 1
            19    2   5 2
            20   30  31 1
            21   31  32 1
            22   32  33 1
            23   33  34 1
            24   34  35 1
            25   35  30 1
            26   34  25 1 #Up
            27   30  23 1 #Up
            28   16  19 2
            29   35  36 1 #Down
            30   32  14 1 #Down
            31   33   6 1 #Down
            32    2   3 1
            33   36  37 1
            34   10  11 1
            35   37  38 2
            36    1   2 1
            37   37  39 1
            38   21  22 1
            39   37  40 1
            40   31  17 1 #Down

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