KEGG   COMPOUND: C20658Help
Entry
C20658                      Compound                               

Name
O-Acetyl-ADP-ribose;
2'-O-Acetyl-ADP-ribose;
AADPR
Formula
C17H25N5O15P2
Exact mass
601.0822
Mol weight
601.3524
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
2.3.1.286       3.1.1.106
Other DBs
PubChem: 172232380
PDB-CCD: OAD[PDBj] ZOD[PDBj]
KCF data Show

ATOM        39
            1   N4y N    27.9322  -15.2362
            2   C8y C    26.6886  -14.8458
            3   C1y C    26.3028  -17.3546
            4   C8x C    28.7513  -14.1730
            5   C8y C    26.6766  -13.5423
            6   N5x N    25.5471  -15.5128
            7   O2x O    25.2217  -16.5737
            8   C1y C    25.9065  -18.5800
            9   N5x N    27.9141  -13.1338
            10  C8y C    25.5351  -12.8814
            11  C8x C    24.3998  -14.8759
            12  C1y C    24.1645  -17.3304
            13  C1y C    24.5789  -18.5800
            14  O1a O    26.6814  -19.6374
            15  N5x N    24.3939  -13.5483
            16  N1a N    25.5293  -11.5780
            17  C1b C    22.9330  -16.9462
            18  O1a O    23.8281  -19.6374
            19  O2b O    21.8815  -16.8981
            20  P1b P    20.4700  -16.8919
            21  O2c O    18.7039  -16.8981
            22  O1c O    20.4700  -18.4179
            23  O1c O    20.4700  -15.4324
            24  P1b P    17.0697  -16.8919
            25  O2b O    15.6641  -16.9039
            26  O1c O    17.0759  -18.3519
            27  O1c O    17.0697  -15.4263
            28  C1b C    14.3005  -16.8862
            29  C1y C    13.0812  -17.3125
            30  O2x O    11.9936  -16.5917
            31  C1y C    12.7385  -18.6461
            32  C1y C    10.9425  -17.4087
            33  C1y C    11.3871  -18.6063
            34  O1a O    13.5137  -19.6757
            35  O1a O     9.6510  -16.1471
            36  O7a O    10.6481  -19.7719
            37  C7a C     9.2296  -19.7129
            38  O6a O     8.4808  -20.8935
            39  C1a C     8.5807  -18.4726
BOND        42
            1     1   2 1
            2     3   1 1 #Up
            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 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            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   29  28 1 #Down
            29   29  30 1
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   31  34 1 #Up
            34   32  35 1 #Either
            35   33  36 1 #Up
            36    5   9 1
            37   11  15 1
            38   12  13 1
            39   32  33 1
            40   36  37 1
            41   37  38 2
            42   37  39 1

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