KEGG   COMPOUND: C20190
Entry
C20190                      Compound                               
Name
P1,P6-Bis(5'-adenosyl)hexaphosphate
Formula
C20H30N10O25P6
Exact mass
995.9809
Mol weight
996.3468
Structure
Reaction
Enzyme
3.6.1.60        3.6.1.61
Other DBs
CAS: 56983-23-4
PubChem: 163311933
PDB-CCD: B6P[PDBj]
LinkDB
KCF data

ATOM        61
            1   N4y N    16.4609  -17.2058
            2   C8y C    17.8123  -16.7983
            3   C1y C    17.2561  -19.2813
            4   C8x C    15.6916  -16.0872
            5   C8y C    17.7927  -15.4601
            6   N5x N    18.9436  -17.5291
            7   O2x O    18.3876  -18.5184
            8   C1y C    17.6311  -20.5937
            9   N5x N    16.5125  -15.0269
            10  C8y C    18.9887  -14.7943
            11  C8x C    20.1462  -16.8826
            12  C1y C    19.4543  -19.3653
            13  C1y C    18.9953  -20.5626
            14  O1a O    16.6997  -21.9712
            15  N5x N    20.1655  -15.5055
            16  N1a N    18.9446  -13.5452
            17  C1b C    20.7667  -18.9968
            18  O1a O    19.8359  -21.8804
            19  O2b O    21.7366  -19.9472
            20  P1b P    23.0944  -19.9406
            21  O2c O    24.5103  -19.9406
            22  O1c O    23.0944  -18.5830
            23  O1c O    23.1134  -21.2984
            24  P1b P    25.8680  -19.9406
            25  O2c O    27.2256  -19.9406
            26  O1c O    25.8680  -18.5830
            27  O1c O    25.8680  -21.2984
            28  P1b P    28.5834  -19.9406
            29  O1c O    28.5834  -18.5830
            30  O1c O    28.5834  -21.2984
            31  O2c O    29.9834  -19.9406
            32  P1b P    31.3834  -19.9406
            33  O1c O    31.3834  -18.5406
            34  O1c O    31.3834  -21.3406
            35  O2c O    32.7834  -19.9406
            36  P1b P    34.1834  -19.9406
            37  O1c O    34.1834  -18.5406
            38  O1c O    34.1834  -21.3406
            39  O2c O    35.5834  -19.9406
            40  P1b P    37.0452  -19.9406
            41  O2b O    38.4095  -19.9472
            42  O1c O    37.0452  -18.5830
            43  O1c O    37.0452  -21.2984
            44  C1b C    39.3792  -18.9968
            45  C1y C    40.6918  -19.3653
            46  O2x O    41.7585  -18.5184
            47  C1y C    41.1509  -20.6326
            48  C1y C    42.8899  -19.2813
            49  C1y C    42.5084  -20.6637
            50  O1a O    40.3103  -21.8095
            51  N4y N    43.6852  -17.2058
            52  O1a O    43.5170  -21.7588
            53  C8y C    42.3790  -16.7920
            54  C8x C    44.4481  -16.0872
            55  C8y C    42.3531  -15.4601
            56  N5x N    41.2024  -17.5291
            57  N5x N    43.6334  -15.0269
            58  C8y C    41.1572  -14.7943
            59  C8x C    40.0000  -16.8826
            60  N5x N    39.9805  -15.5055
            61  N1a N    41.1313  -13.5452
BOND        66
            1     1   2 1
            2     3   1 1 #Down
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Up
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Down
            17   13  18 1 #Up
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 2
            30    5   9 1
            31   11  15 1
            32   12  13 1
            33   28  31 1
            34   31  32 1
            35   32  33 1
            36   32  34 2
            37   32  35 1
            38   35  36 1
            39   36  37 1
            40   36  38 2
            41   36  39 1
            42   40  41 1
            43   40  42 1
            44   40  43 2
            45   41  44 1
            46   45  44 1 #Up
            47   45  46 1
            48   45  47 1
            49   46  48 1
            50   47  49 1
            51   47  50 1 #Down
            52   48  51 1 #Up
            53   49  52 1 #Down
            54   51  53 1
            55   51  54 1
            56   53  55 2
            57   53  56 1
            58   54  57 2
            59   55  58 1
            60   56  59 2
            61   58  60 2
            62   58  61 1
            63   48  49 1
            64   55  57 1
            65   59  60 1
            66   39  40 1

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