KEGG   COMPOUND: C06197Help
Entry
C06197                      Compound                               

Name
P1,P3-Bis(5'-adenosyl) triphosphate;
ApppA;
Adenosine 5'-triphosphate 5'-adenosine
Formula
C20H27N10O16P3
Exact mass
756.0819
Mol weight
756.4071
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Purine metabolism
Enzyme
Other DBs
CAS: 
5959-90-0
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        49
            1   N4y N    16.3766  -19.7688
            2   C8y C    15.3169  -20.5056
            3   C1y C    17.6680  -20.1908
            4   C8x C    15.8965  -18.3780
            5   C8y C    14.0834  -19.6031
            6   N5x N    15.1844  -21.9295
            7   O2x O    18.8022  -19.3383
            8   C1y C    18.0985  -21.4409
            9   N5x N    14.4560  -18.3861
            10  C8y C    12.8251  -20.1577
            11  C8x C    13.8599  -22.5172
            12  C1y C    19.9116  -20.1246
            13  C1y C    19.4811  -21.4409
            14  O1a O    17.2873  -22.5751
            15  N5x N    12.6679  -21.6397
            16  N1a N    11.7323  -19.3299
            17  C1b C    21.2279  -19.7025
            18  O1a O    19.9281  -22.7573
            19  O2b O    22.2711  -20.6379
            20  P1b P    23.6700  -20.6463
            21  O2c O    25.0608  -20.6544
            22  O1c O    23.6619  -22.0452
            23  O1c O    23.6619  -19.2471
            24  P1b P    26.4600  -20.6544
            25  O2c O    27.8592  -20.6628
            26  O1c O    26.4518  -22.0536
            27  O1c O    26.4518  -19.2555
            28  P1b P    29.2581  -20.6628
            29  O2b O    30.6573  -20.6628
            30  O1c O    29.2500  -22.0536
            31  O1c O    29.2500  -19.2636
            32  C1b C    31.6921  -19.7191
            33  C1y C    33.0084  -20.1495
            34  O2x O    34.1178  -19.3549
            35  C1y C    33.4389  -21.4575
            36  C1y C    35.2601  -20.2074
            37  C1y C    34.8215  -21.4575
            38  O1a O    32.9919  -22.7820
            39  N4y N    36.5434  -19.7935
            40  O1a O    35.6327  -22.6000
            41  C8y C    37.6031  -20.5303
            42  C8x C    37.0235  -18.3946
            43  C8y C    38.8366  -19.6278
            44  N5x N    37.7356  -21.9461
            45  N5x N    38.4722  -18.4027
            46  C8y C    40.0867  -20.1743
            47  C8x C    39.0601  -22.5419
            48  N5x N    40.2521  -21.6563
            49  N1a N    41.2043  -19.3549
BOND        54
            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   33  32 1 #Up
            33   33  34 1
            34   33  35 1
            35   34  36 1
            36   35  37 1
            37   35  38 1 #Down
            38   36  39 1 #Up
            39   37  40 1 #Down
            40   39  41 1
            41   39  42 1
            42   41  43 2
            43   41  44 1
            44   42  45 2
            45   43  46 1
            46   44  47 2
            47   46  48 2
            48   46  49 1
            49    5   9 1
            50   11  15 1
            51   12  13 1
            52   36  37 1
            53   43  45 1
            54   47  48 1

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