KEGG   COMPOUND: C04660
Entry
C04660                      Compound                               
Name
3'-Deoxydihydrostreptomycin 6,3''-bis-phosphate
Formula
C21H43N7O17P2
Exact mass
727.2191
Mol weight
727.5503
Structure
Other DBs
PubChem: 7244
ChEBI: 27944
NIKKAJI: J2.752.790F
LinkDB
KCF data

ATOM        47
            1   C1y C    29.6119  -21.0463
            2   C1y C    30.0202  -19.7972
            3   C1y C    28.3023  -21.0463
            4   O2a O    31.2875  -22.1457
            5   O2a O    31.5519  -18.4397
            6   O2x O    28.9512  -19.0344
            7   C1y C    27.9061  -19.7972
            8   C1b C    26.9992  -21.7732
            9   C1y C    30.2064  -24.2177
            10  C1y C    31.5218  -16.8179
            11  C1a C    26.6627  -19.3887
            12  O1a O    25.8758  -21.1064
            13  C1y C    30.2064  -25.5390
            14  O2x O    29.0591  -23.5632
            15  C1y C    30.3925  -16.1513
            16  C1y C    32.6690  -16.1513
            17  C1y C    29.0591  -26.2058
            18  C1y C    27.9300  -24.2177
            19  C1y C    30.3925  -14.8299
            20  N1b N    28.5668  -16.9680
            21  C1y C    32.6690  -14.8299
            22  O1a O    33.7982  -16.8000
            23  C1y C    27.9300  -25.5390
            24  O2b O    29.0591  -27.5152
            25  C1b C    26.8009  -23.5632
            26  C1y C    31.5218  -14.1751
            27  O1a O    29.4783  -14.0989
            28  C2c C    27.4375  -16.3134
            29  O2b O    33.7982  -14.1692
            30  O1a O    26.7947  -26.1879
            31  O1a O    25.6656  -24.2177
            32  N1b N    31.5158  -12.8658
            33  N1a N    26.3024  -16.9620
            34  N2a N    27.4435  -15.0042
            35  C2c C    30.3867  -12.2171
            36  N2a N    30.3806  -10.9138
            37  N1a N    29.2574  -12.8718
            38  N1b N    31.4107  -26.2321
            39  C1a C    32.6173  -25.5329
            40  P1b P    35.1950  -14.1692
            41  O1c O    36.5919  -14.1692
            42  O1c O    35.1950  -15.5661
            43  O1c O    35.1950  -12.7724
            44  P1b P    29.0591  -28.9152
            45  O1c O    30.4591  -28.9152
            46  O1c O    27.6591  -28.9152
            47  O1c O    29.0591  -30.3152
BOND        49
            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     9   4 1 #Up
            9    10   5 1 #Down
            10    7  11 1 #Down
            11    8  12 1
            12    9  13 1
            13    9  14 1
            14   10  15 1
            15   10  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 1
            19   15  20 1 #Up
            20   16  21 1
            21   16  22 1 #Up
            22   17  23 1
            23   17  24 1 #Down
            24   18  25 1 #Down
            25   19  26 1
            26   19  27 1 #Down
            27   20  28 1
            28   21  29 1 #Down
            29   23  30 1 #Up
            30   25  31 1
            31   26  32 1 #Up
            32   28  33 1
            33   28  34 2
            34   32  35 1
            35   35  36 2
            36   35  37 1
            37    6   7 1
            38   18  23 1
            39   21  26 1
            40   13  38 1 #Up
            41   38  39 1
            42   29  40 1
            43   40  41 1
            44   40  42 1
            45   40  43 2
            46   24  44 1
            47   44  45 1
            48   44  46 1
            49   44  47 2

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