KEGG   COMPOUND: C19799Help
Entry
C19799                      Compound                               

Name
Bis(1L-myo-inositol)-3,1'-phosphate 1-phosphate
Formula
C12H24O17P2
Exact mass
502.0489
Mol weight
502.2563
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00562  Inositol phosphate metabolism
Enzyme
Other DBs
PubChem: 135626266
ChEBI: 62574
KCF data Show

ATOM        31
            1   P1b P     7.6224  -20.0585
            2   O2b O     7.6159  -18.6741
            3   O1c O     6.2380  -20.1220
            4   O1c O     7.6224  -21.4492
            5   C1y C     7.6159  -17.2897
            6   C1y C     6.4165  -16.5816
            7   C1y C     8.8345  -16.5816
            8   C1y C     6.4165  -15.1780
            9   O1a O     5.2109  -17.2706
            10  C1y C     8.8345  -15.1780
            11  O1a O    10.0276  -17.2706
            12  C1y C     7.6159  -14.4890
            13  O1a O     5.2109  -14.4955
            14  O1a O    10.1360  -14.4126
            15  O1a O     7.6159  -13.0983
            16  P1b P    11.4532  -25.6406
            17  O2b O    11.4468  -24.2622
            18  O1c O    12.8570  -25.6406
            19  O1c O    10.0748  -25.7039
            20  O1c O    11.4532  -27.0254
            21  C1y C    11.4468  -22.8837
            22  C1y C    10.2525  -22.1786
            23  C1y C    12.6602  -22.1786
            24  C1y C    10.2525  -20.7810
            25  O1a O     9.0521  -22.8647
            26  C1y C    12.6602  -20.7810
            27  O1a O    13.8482  -22.8647
            28  C1y C    11.4468  -20.0950
            29  O2b O     9.0521  -20.1014
            30  O1a O    13.9561  -20.0189
            31  O1a O    11.4468  -18.7102
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     5   2 1 #Up
            5     5   6 1
            6     5   7 1
            7     6   8 1
            8     6   9 1 #Up
            9     7  10 1
            10    7  11 1 #Down
            11    8  12 1
            12    8  13 1 #Up
            13   10  14 1 #Up
            14   12  15 1 #Down
            15   10  12 1
            16   16  17 1
            17   16  18 1
            18   16  19 1
            19   16  20 2
            20   21  17 1 #Up
            21   21  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 1 #Up
            25   23  26 1
            26   23  27 1 #Down
            27   24  28 1
            28   24  29 1 #Up
            29   26  30 1 #Up
            30   28  31 1 #Down
            31   26  28 1
            32    1  29 1

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