KEGG   COMPOUND: C04392Help
Entry
C04392                      Compound                               

Name
P1,P4-Bis(5'-xanthosyl) tetraphosphate;
XppppX
Formula
C20H26N8O23P4
Exact mass
870.0061
Mol weight
870.3553
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Purine metabolism
Enzyme
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        55
            1   N4y N    15.3784  -19.5417
            2   C8y C    16.6802  -19.1278
            3   C1y C    16.5266  -22.4480
            4   C8x C    14.5773  -18.4469
            5   C8y C    16.6802  -17.7593
            6   N4x N    17.8685  -19.8220
            7   O2x O    17.6348  -21.6603
            8   C1y C    16.9471  -23.7431
            9   N5x N    15.3717  -17.3386
            10  C8y C    17.8685  -17.0784
            11  C8y C    19.0434  -19.1278
            12  C1y C    18.7228  -22.4480
            13  C1y C    18.3091  -23.7431
            14  O1a O    16.1460  -24.8379
            15  N4x N    19.0434  -17.7593
            16  O5x O    17.8685  -15.7232
            17  O5x O    20.2183  -19.8021
            18  C1b C    20.0114  -22.0207
            19  O1a O    19.1100  -24.8379
            20  O2b O    21.0194  -22.8587
            21  P1b P    22.3812  -22.9221
            22  O2c O    23.7363  -22.9221
            23  O1c O    22.3812  -21.5669
            24  O1c O    22.3812  -24.2773
            25  P1b P    25.0983  -22.9221
            26  O2c O    26.4600  -22.8587
            27  O1c O    25.1048  -21.5669
            28  O1c O    25.0983  -24.2773
            29  P1b P    27.8217  -22.9221
            30  O2c O    29.1769  -22.8587
            31  O1c O    27.8217  -21.5669
            32  O1c O    27.8152  -24.2773
            33  P1b P    30.5388  -22.9221
            34  O2b O    31.9006  -22.8587
            35  O1c O    30.5388  -21.5669
            36  O1c O    30.5388  -24.2773
            37  C1b C    32.9086  -22.0207
            38  C1y C    34.1972  -22.4480
            39  O2x O    35.2852  -21.6603
            40  C1y C    34.6109  -23.7431
            41  C1y C    36.3934  -22.4480
            42  C1y C    35.9729  -23.7431
            43  O1a O    33.8100  -24.8379
            44  N4y N    37.5416  -19.6117
            45  O1a O    36.7740  -24.8379
            46  C8y C    36.2398  -19.1978
            47  C8x C    38.3427  -18.5169
            48  C8y C    36.2398  -17.8293
            49  N4x N    35.0515  -19.8920
            50  N5x N    37.5483  -17.4086
            51  C8y C    35.0515  -17.1484
            52  C8y C    33.8766  -19.1978
            53  N4x N    33.8766  -17.8293
            54  O5x O    35.0515  -15.7932
            55  O5x O    32.7017  -19.8721
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 1
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Up
            14   10  15 1
            15   10  16 2
            16   11  17 2
            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 1
            52   51  53 1
            53   51  54 2
            54   52  55 2
            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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