KEGG   COMPOUND: C04058
Entry
C04058                      Compound                               

Name
Bis(5'-adenosyl) pentaphosphate;
P1,P5-Bis(5'-adenosyl)pentaphosphate
Formula
C20H29N10O22P5
Exact mass
916.0146
Mol weight
916.3669
Structure
Reaction
Enzyme
3.6.1.60        3.6.1.61
Other DBs
CAS: 41708-91-2
PubChem: 6757
ChEBI: 28898
ChEMBL: CHEMBL437508
PDB-CCD: AP5[PDBj]
NIKKAJI: J278.253G
LinkDB
KCF data

ATOM        57
            1   N4y N    14.4674  -15.5860
            2   C8y C    15.7999  -15.1849
            3   C1y C    15.2483  -17.6420
            4   C8x C    13.7007  -14.4826
            5   C8y C    15.7856  -13.8594
            6   N5x N    16.9245  -15.9083
            7   O2x O    16.3729  -16.8899
            8   C1y C    15.6279  -18.9459
            9   N5x N    14.5104  -13.4295
            10  C8y C    16.9675  -13.1931
            11  C8x C    18.1139  -15.2636
            12  C1y C    17.4333  -17.7280
            13  C1y C    16.9675  -18.9818
            14  O1a O    14.6248  -20.3859
            15  N5x N    18.1353  -13.9024
            16  N1a N    16.9191  -11.6744
            17  C1b C    18.7299  -17.3626
            18  O1a O    17.8129  -20.2211
            19  O2b O    19.6900  -18.3012
            20  P1b P    21.0369  -18.3012
            21  O2c O    22.4339  -18.3012
            22  O1c O    21.0369  -16.9543
            23  O1c O    21.0566  -19.6481
            24  P1b P    23.7805  -18.3012
            25  O2c O    25.1274  -18.3012
            26  O1c O    23.7805  -16.9543
            27  O1c O    23.7805  -19.6481
            28  P1b P    26.4743  -18.3012
            29  O2c O    27.8212  -18.3012
            30  O1c O    26.4743  -16.9543
            31  O1c O    26.4743  -19.6481
            32  P1b P    29.1681  -18.3012
            33  O2c O    30.5148  -18.3012
            34  O1c O    29.1681  -16.9543
            35  O1c O    29.1681  -19.6481
            36  P1b P    31.8688  -18.3012
            37  O2b O    33.2157  -18.3012
            38  O1c O    31.8688  -16.9543
            39  O1c O    31.8688  -19.6481
            40  C1b C    34.1828  -17.3626
            41  C1y C    35.4796  -17.7280
            42  O2x O    36.5398  -16.8899
            43  C1y C    35.9381  -18.9818
            44  C1y C    37.6575  -17.6420
            45  C1y C    37.2848  -18.9459
            46  O1a O    35.0998  -20.2211
            47  N4y N    38.4456  -15.5860
            48  O1a O    38.2808  -20.3859
            49  C8y C    37.1560  -15.1776
            50  C8x C    39.2049  -14.4826
            51  C8y C    37.1973  -13.8594
            52  N5x N    35.9882  -15.9083
            53  N5x N    38.3953  -13.4295
            54  C8y C    35.9381  -13.1931
            55  C8x C    34.7917  -15.2636
            56  N5x N    34.7774  -13.9024
            57  N1a N    35.8825  -11.6816
BOND        62
            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   36  37 1
            37   36  38 1
            38   36  39 2
            39   37  40 1
            40   41  40 1 #Up
            41   41  42 1
            42   41  43 1
            43   42  44 1
            44   43  45 1
            45   43  46 1 #Down
            46   44  47 1 #Up
            47   45  48 1 #Down
            48   47  49 1
            49   47  50 1
            50   49  51 2
            51   49  52 1
            52   50  53 2
            53   51  54 1
            54   52  55 2
            55   54  56 2
            56   54  57 1
            57    5   9 1
            58   11  15 1
            59   12  13 1
            60   44  45 1
            61   51  53 1
            62   55  56 1

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