KEGG   COMPOUND: C01261
Entry
C01261                      Compound                               
Name
P1,P4-Bis(5'-guanosyl) tetraphosphate;
GppppG;
Bis(5'-guanosyl) tetraphosphate
Formula
C20H28N10O21P4
Exact mass
868.0381
Mol weight
868.3858
Structure
Reaction
Pathway
map00230  Purine metabolism
map01100  Metabolic pathways
Enzyme
2.7.7.45        3.6.1.17
Other DBs
PubChem: 4480
ChEBI: 15883
PDB-CCD: 86P[PDBj]
3DMET: B01425
NIKKAJI: J398.256D
LinkDB
KCF data

ATOM        55
            1   N4y N    14.2185  -16.6363
            2   C8y C    15.5847  -16.2225
            3   C1y C    15.0196  -18.7447
            4   C8x C    13.4367  -15.5000
            5   C8y C    15.5978  -14.7775
            6   N5x N    16.7342  -16.9647
            7   O2x O    16.1757  -17.9696
            8   C1y C    15.4073  -20.0781
            9   N5x N    14.2644  -14.4228
            10  C8y C    16.7866  -14.1861
            11  C8y C    17.9558  -16.3078
            12  C1y C    17.2531  -18.8303
            13  C1y C    16.7866  -20.1175
            14  O1a O    14.3827  -21.3355
            15  N4x N    17.9821  -14.9087
            16  O5x O    16.8303  -13.1032
            17  N1a N    18.7440  -16.7609
            18  C1b C    18.5865  -18.4557
            19  O1a O    17.6472  -21.3139
            20  O2b O    19.5717  -19.4213
            21  P1b P    20.9510  -19.4147
            22  O2c O    22.3895  -19.4147
            23  O1c O    20.9510  -18.0353
            24  O1c O    20.8986  -20.7942
            25  P1b P    23.7690  -19.4147
            26  O2c O    25.1484  -19.4147
            27  O1c O    23.7690  -18.0353
            28  O1c O    23.7690  -20.7942
            29  P1b P    26.5343  -19.4147
            30  O2c O    27.9136  -19.4147
            31  O1c O    26.5343  -18.0353
            32  O1c O    26.5343  -20.7942
            33  P1b P    29.2932  -19.4147
            34  O2b O    30.6789  -19.4213
            35  O1c O    29.2932  -18.0353
            36  O1c O    29.2932  -20.7942
            37  C1b C    31.6708  -18.4557
            38  C1y C    32.9977  -18.8303
            39  O2x O    34.0814  -17.9696
            40  C1y C    33.4708  -20.1175
            41  C1y C    35.2310  -18.7447
            42  C1y C    34.8522  -20.0607
            43  O1a O    32.6101  -21.3139
            44  N4y N    36.0388  -16.6363
            45  O1a O    35.7040  -21.3430
            46  C8y C    34.7121  -16.2158
            47  C8x C    36.8206  -15.5000
            48  C8y C    34.6858  -14.8628
            49  N5x N    33.5166  -16.9647
            50  N5x N    35.9930  -14.4228
            51  C8y C    33.4708  -14.1861
            52  C8y C    32.2949  -16.3078
            53  N4x N    32.2752  -14.9087
            54  O5x O    33.4903  -13.0723
            55  N1a N    31.4044  -16.8812
BOND        60
            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 1
            15   10  16 2
            16   11  17 1
            17   12  18 1 #Down
            18   13  19 1 #Up
            19   18  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25   25  26 1
            26   25  27 1
            27   25  28 2
            28   26  29 1
            29   29  30 1
            30   29  31 1
            31   29  32 2
            32   30  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   34  37 1
            37   38  37 1 #Up
            38   38  39 1
            39   38  40 1
            40   39  41 1
            41   40  42 1
            42   40  43 1 #Down
            43   41  44 1 #Up
            44   42  45 1 #Down
            45   44  46 1
            46   44  47 1
            47   46  48 2
            48   46  49 1
            49   47  50 2
            50   48  51 1
            51   49  52 2
            52   51  53 1
            53   51  54 2
            54   52  55 1
            55    5   9 1
            56   11  15 1
            57   12  13 1
            58   41  42 1
            59   48  50 1
            60   52  53 1

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