KEGG   COMPOUND: C00301
Entry
C00301                      Compound                               
Name
ADP-ribose;
ADP-D-ribose;
Adenosine diphosphate ribose
Formula
C15H23N5O14P2
Exact mass
559.0717
Mol weight
559.3157
Structure
Reaction
Pathway
map00230  Purine metabolism
map01100  Metabolic pathways
Enzyme
2.7.7.35        2.7.7.96        3.1.1.106       3.2.2.5         
3.2.2.6         3.2.2.19        3.2.2.24        3.5.1.-         
3.6.1.13        3.6.1.21        3.6.1.53        3.6.1.-
Other DBs
PubChem: 3595
ChEBI: 16960
PDB-CCD: APR[PDBj]
3DMET: B01211
NIKKAJI: J17.074G
KCF data

ATOM        36
            1   N4y N    33.2505  -22.7909
            2   C8y C    32.0067  -22.4003
            3   C1y C    31.6209  -24.9096
            4   C8x C    34.0698  -21.7274
            5   C8y C    31.9947  -21.0966
            6   N5x N    30.8650  -23.0674
            7   O2x O    30.5395  -24.1286
            8   C1y C    31.2245  -26.1353
            9   N5x N    33.2325  -20.6880
            10  C8y C    30.8530  -20.4356
            11  C8x C    29.7175  -22.4305
            12  C1y C    29.4821  -24.8855
            13  C1y C    29.8966  -26.1353
            14  O1a O    31.9995  -27.1929
            15  N5x N    29.7815  -21.1026
            16  N1a N    30.8472  -19.1320
            17  C1b C    28.2503  -24.5012
            18  O1a O    29.1457  -27.1929
            19  O2b O    27.1987  -24.4531
            20  P1b P    25.7869  -24.4469
            21  O2c O    24.0204  -24.4531
            22  O1c O    25.7869  -25.9732
            23  O1c O    25.7869  -22.9870
            24  P1b P    22.3860  -24.4469
            25  O2b O    20.9800  -24.4589
            26  O1c O    22.3922  -25.9071
            27  O1c O    22.3860  -22.9809
            28  C1b C    19.6162  -24.4412
            29  C1y C    18.3966  -24.8676
            30  O2x O    17.3088  -24.1466
            31  C1y C    18.0539  -26.2014
            32  C1y C    16.2575  -24.9638
            33  C1y C    16.7022  -26.1616
            34  O1a O    18.8292  -27.2312
            35  O1a O    14.9658  -23.7019
            36  O1a O    15.9631  -27.3274
BOND        39
            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 #Down
            35   33  36 1 #Up
            36    5   9 1
            37   11  15 1
            38   12  13 1
            39   32  33 1

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