KEGG   COMPOUND: C20936
Entry
C20936                      Compound                               

Name
pppA2'p5'A2'p5'A;
Trimeric 2-5A;
2',5'-Triadenylate 5'-triphosphate
Formula
C30H40N15O25P5
Exact mass
1165.1008
Mol weight
1165.5929
Structure
Reaction
Enzyme
Other DBs
PubChem: 254741398
ChEMBL: CHEMBL404038
PDB-CCD: 25L[PDBj]
LinkDB
KCF data

ATOM        75
            1   N4y N    16.4374  -13.2929
            2   C8y C    15.1778  -12.9430
            3   C1y C    15.7376  -15.2523
            4   C8x C    17.2771  -12.2432
            5   C8y C    15.1778  -11.5434
            6   N5x N    13.9881  -13.5728
            7   O2x O    14.6179  -14.4125
            8   C1y C    15.3177  -16.5119
            9   N5x N    16.4374  -11.1236
            10  C8y C    13.9881  -10.8436
            11  C8x C    12.7985  -12.9430
            12  C1y C    13.4983  -15.2523
            13  C1y C    13.9182  -16.5119
            14  O2b O    16.1575  -17.6315
            15  N5x N    12.7985  -11.5434
            16  N1a N    13.9182   -9.5140
            17  C1b C    12.1687  -14.0626
            18  O1a O    13.1484  -17.6315
            19  O2b O    11.1890  -15.0423
            20  P1b P     9.8594  -15.0423
            21  O2c O     8.4598  -15.0423
            22  O1c O     9.8594  -16.3719
            23  O1c O     9.8594  -13.7127
            24  P1b P     7.0603  -15.0423
            25  O1c O     7.0603  -13.6428
            26  O1c O     7.0603  -16.4419
            27  O2c O     5.6607  -15.0423
            28  P1b P     4.2611  -15.0423
            29  O1c O     4.2611  -13.6428
            30  O1c O     2.8616  -15.0423
            31  O1c O     4.2611  -16.4419
            32  N4y N    24.2200  -15.8900
            33  C8y C    22.9600  -15.5400
            34  C1y C    23.5200  -17.8500
            35  C8x C    25.0600  -14.8400
            36  C8y C    22.9600  -14.1400
            37  N5x N    21.7700  -16.1700
            38  O2x O    22.4000  -17.0100
            39  C1y C    23.1000  -19.1100
            40  N5x N    24.2200  -13.7200
            41  C8y C    21.7700  -13.4400
            42  C8x C    20.5800  -15.5400
            43  C1y C    21.2800  -17.8500
            44  C1y C    21.7000  -19.1100
            45  O2b O    23.9400  -20.2300
            46  N5x N    20.5800  -14.1400
            47  N1a N    21.7000  -12.1100
            48  C1b C    19.9500  -16.6600
            49  O1a O    20.9300  -20.2300
            50  O2b O    18.9700  -17.6400
            51  P1b P    17.6400  -17.6400
            52  O1c O    17.6400  -18.9700
            53  O1c O    17.6400  -16.3100
            54  N4y N    31.9200  -18.4800
            55  C8y C    30.6600  -18.1300
            56  C1y C    31.2200  -20.4400
            57  C8x C    32.7600  -17.4300
            58  C8y C    30.6600  -16.7300
            59  N5x N    29.4700  -18.7600
            60  O2x O    30.1000  -19.6000
            61  C1y C    30.8000  -21.7000
            62  N5x N    31.9200  -16.3100
            63  C8y C    29.4700  -16.0300
            64  C8x C    28.2800  -18.1300
            65  C1y C    28.9800  -20.4400
            66  C1y C    29.4000  -21.7000
            67  O1a O    31.6400  -22.8200
            68  N5x N    28.2800  -16.7300
            69  N1a N    29.4000  -14.7000
            70  C1b C    27.6500  -19.2500
            71  O1a O    28.6300  -22.8200
            72  O2b O    26.6700  -20.2300
            73  P1b P    25.3400  -20.2300
            74  O1c O    25.3400  -21.5600
            75  O1c O    25.3400  -18.9000
BOND        83
            1     1   2 1
            2     3   1 1 #Up
            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 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23    5   9 1
            24   11  15 1
            25   12  13 1
            26   21  24 1
            27   24  25 2
            28   24  26 1
            29   24  27 1
            30   27  28 1
            31   28  29 2
            32   28  30 1
            33   28  31 1
            34   32  33 1
            35   34  32 1 #Up
            36   32  35 1
            37   33  36 2
            38   33  37 1
            39   34  38 1
            40   34  39 1
            41   35  40 2
            42   36  41 1
            43   37  42 2
            44   38  43 1
            45   39  44 1
            46   39  45 1 #Down
            47   41  46 2
            48   41  47 1
            49   43  48 1 #Up
            50   44  49 1 #Down
            51   48  50 1
            52   50  51 1
            53   51  52 1
            54   51  53 2
            55   36  40 1
            56   42  46 1
            57   43  44 1
            58   14  51 1
            59   54  55 1
            60   56  54 1 #Up
            61   54  57 1
            62   55  58 2
            63   55  59 1
            64   56  60 1
            65   56  61 1
            66   57  62 2
            67   58  63 1
            68   59  64 2
            69   60  65 1
            70   61  66 1
            71   61  67 1 #Down
            72   63  68 2
            73   63  69 1
            74   65  70 1 #Up
            75   66  71 1 #Down
            76   70  72 1
            77   72  73 1
            78   73  74 1
            79   73  75 2
            80   58  62 1
            81   64  68 1
            82   65  66 1
            83   45  73 1

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