KEGG   COMPOUND: C01260Help
Entry
C01260                      Compound                               

Name
P1,P4-Bis(5'-adenosyl)tetraphosphate;
AppppA
Formula
C20H28N10O19P4
Exact mass
836.0483
Mol weight
836.387
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Purine metabolism
Enzyme
2.7.7.53        3.6.1.17        3.6.1.41        3.6.1.61
Other DBs
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        53
            1   N4y N    14.4323  -16.6474
            2   C8y C    15.7838  -16.2399
            3   C1y C    15.2276  -18.7231
            4   C8x C    13.6629  -15.5287
            5   C8y C    15.7642  -14.9015
            6   N5x N    16.9152  -16.9707
            7   O2x O    16.3592  -17.9601
            8   C1y C    15.6026  -20.0356
            9   N5x N    14.4839  -14.4683
            10  C8y C    16.9603  -14.2357
            11  C8x C    18.1179  -16.3242
            12  C1y C    17.4260  -18.8071
            13  C1y C    16.9669  -20.0045
            14  O1a O    14.6711  -21.4132
            15  N5x N    18.1372  -14.9469
            16  N1a N    16.9162  -12.9864
            17  C1b C    18.7385  -18.4386
            18  O1a O    17.8076  -21.3224
            19  O2b O    19.7085  -19.3891
            20  P1b P    21.0664  -19.3825
            21  O2c O    22.4824  -19.3825
            22  O1c O    21.0664  -18.0247
            23  O1c O    21.0854  -20.7404
            24  P1b P    23.8403  -19.3825
            25  O2c O    25.1980  -19.3825
            26  O1c O    23.8403  -18.0247
            27  O1c O    23.8403  -20.7404
            28  P1b P    26.5559  -19.3825
            29  O2c O    27.9137  -19.3825
            30  O1c O    26.5559  -18.0247
            31  O1c O    26.5559  -20.7404
            32  P1b P    29.2780  -19.3825
            33  O2b O    30.6424  -19.3891
            34  O1c O    29.2780  -18.0247
            35  O1c O    29.2780  -20.7404
            36  C1b C    31.6122  -18.4386
            37  C1y C    32.9249  -18.8071
            38  O2x O    33.9917  -17.9601
            39  C1y C    33.3841  -20.0745
            40  C1y C    35.1233  -18.7231
            41  C1y C    34.7417  -20.1056
            42  O1a O    32.5434  -21.2515
            43  N4y N    35.9186  -16.6474
            44  O1a O    35.7504  -21.2008
            45  C8y C    34.6123  -16.2336
            46  C8x C    36.6816  -15.5287
            47  C8y C    34.5864  -14.9015
            48  N5x N    33.4356  -16.9707
            49  N5x N    35.8668  -14.4683
            50  C8y C    33.3904  -14.2357
            51  C8x C    32.2331  -16.3242
            52  N5x N    32.2136  -14.9469
            53  N1a N    33.3645  -12.9864
BOND        58
            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 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   32  34 1
            34   32  35 2
            35   33  36 1
            36   37  36 1 #Up
            37   37  38 1
            38   37  39 1
            39   38  40 1
            40   39  41 1
            41   39  42 1 #Down
            42   40  43 1 #Up
            43   41  44 1 #Down
            44   43  45 1
            45   43  46 1
            46   45  47 2
            47   45  48 1
            48   46  49 2
            49   47  50 1
            50   48  51 2
            51   50  52 2
            52   50  53 1
            53    5   9 1
            54   11  15 1
            55   12  13 1
            56   40  41 1
            57   47  49 1
            58   51  52 1

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