KEGG   COMPOUND: C03462
Entry
C03462                      Compound                               
Name
3''-Adenylylstreptomycin
Formula
C31H51N12O18P
Exact mass
910.3182
Mol weight
910.78
Structure
Reaction
Enzyme
Other DBs
PubChem: 6282
ChEBI: 29076
NIKKAJI: J2.742.630A
LinkDB
KCF data

ATOM        62
            1   C1y C    22.7333  -23.2380
            2   C1y C    23.1336  -21.9887
            3   C1z C    21.4149  -23.2380
            4   O2a O    24.4035  -24.3422
            5   O2a O    24.6725  -20.6223
            6   O2x O    22.0706  -21.2227
            7   C1y C    21.0146  -21.9887
            8   C4a C    20.1105  -23.9696
            9   O1a O    21.4219  -24.4941
            10  C1y C    23.3267  -26.4196
            11  C1y C    24.6449  -19.0003
            12  C1a C    19.7725  -21.5746
            13  O4a O    18.9857  -23.3001
            14  C1y C    23.3267  -27.7447
            15  O2x O    22.1742  -25.7641
            16  C1y C    23.5062  -18.3310
            17  C1y C    25.7907  -18.3310
            18  C1y C    22.1742  -28.4142
            19  N1b N    24.5622  -28.5109
            20  C1y C    21.0422  -26.4196
            21  C1y C    23.5062  -17.0058
            22  N1b N    21.6773  -19.1522
            23  C1y C    25.7907  -17.0058
            24  O1a O    26.9293  -18.9797
            25  C1y C    21.0422  -27.7447
            26  O2b O    22.1534  -29.5599
            27  C1a C    25.8547  -29.1033
            28  C1b C    19.9104  -25.7641
            29  C1y C    24.6449  -16.3501
            30  O1a O    22.5893  -16.1303
            31  C2c C    20.5523  -18.4897
            32  O1a O    26.9225  -16.3433
            33  O1a O    19.9036  -28.3934
            34  P1b P    22.1534  -30.8712
            35  O1a O    18.7717  -26.4196
            36  N1b N    24.6381  -15.0388
            37  N1a N    19.4134  -19.1384
            38  N2a N    20.5523  -17.1852
            39  O2b O    23.4578  -30.8712
            40  O1c O    20.5316  -30.8850
            41  O1c O    22.1534  -32.1824
            42  C2c C    23.5062  -14.3901
            43  C1b C    25.0384  -30.6297
            44  N1a N    23.4992  -13.0787
            45  N2a N    22.3744  -15.0458
            46  C1y C    26.2807  -31.0368
            47  O2x O    27.3366  -30.2708
            48  C1y C    26.6810  -32.2929
            49  C1y C    28.3994  -31.0368
            50  C1y C    27.9991  -32.2929
            51  O1a O    25.9080  -33.3489
            52  N4y N    29.9859  -28.3599
            53  O1a O    28.7653  -33.3489
            54  C8y C    28.7298  -27.9598
            55  C8x C    30.7589  -27.3041
            56  C8y C    28.7298  -26.6414
            57  N5x N    27.5771  -28.6291
            58  N5x N    29.9859  -26.2343
            59  C8y C    27.5771  -25.9858
            60  C8x C    26.4453  -27.9598
            61  N5x N    26.4453  -26.6414
            62  N1a N    27.5771  -24.6746
BOND        67
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Up
            8     3   9 1
            9    10   4 1 #Up
            10   11   5 1 #Down
            11    7  12 1 #Down
            12    8  13 2
            13   10  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1
            17   14  18 1
            18   14  19 1 #Up
            19   15  20 1
            20   16  21 1
            21   16  22 1 #Up
            22   17  23 1
            23   17  24 1 #Up
            24   18  25 1
            25   18  26 1 #Down
            26   19  27 1
            27   20  28 1 #Down
            28   21  29 1
            29   21  30 1 #Down
            30   22  31 1
            31   23  32 1 #Down
            32   25  33 1 #Up
            33   26  34 1
            34   28  35 1
            35   29  36 1 #Up
            36   31  37 1
            37   31  38 2
            38   34  39 1
            39   34  40 1
            40   34  41 2
            41   36  42 1
            42   39  43 1
            43   42  44 1
            44   42  45 2
            45   46  43 1 #Up
            46   46  47 1
            47   46  48 1
            48   47  49 1
            49   48  50 1
            50   48  51 1 #Down
            51   49  52 1 #Up
            52   50  53 1 #Down
            53   52  54 1
            54   52  55 1
            55   54  56 2
            56   54  57 1
            57   55  58 2
            58   56  59 1
            59   57  60 2
            60   59  61 2
            61   59  62 1
            62    6   7 1
            63   20  25 1
            64   23  29 1
            65   49  50 1
            66   56  58 1
            67   60  61 1

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