KEGG   COMPOUND: C07974Help
Entry
C07974                      Compound                               

Name
Suramin
Formula
C51H40N6O23S6
Exact mass
1296.0469
Mol weight
1297.2797
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
145-63-1
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        86
            1   C8y C    23.2224  -15.0492
            2   C8y C    22.0175  -14.3658
            3   C8y C    24.4270  -14.3479
            4   C8y C    23.2313  -16.4517
            5   C8y C    22.0784  -12.9633
            6   C8x C    20.8127  -15.0670
            7   N1b N    25.6407  -15.0492
            8   C8x C    24.4270  -12.9542
            9   C8x C    22.0264  -17.1619
            10  S4a S    24.4361  -17.1528
            11  C8x C    23.2132  -12.2528
            12  S4a S    20.8647  -12.2528
            13  C8y C    20.8218  -16.4606
            14  C5a C    26.8636  -14.3387
            15  O1d O    23.7348  -18.3577
            16  O1d O    25.1284  -15.9391
            17  O1d O    25.6407  -17.8633
            18  O1d O    19.6510  -11.5606
            19  S4a S    19.6078  -17.1708
            20  C8y C    28.0414  -15.0221
            21  O5a O    26.8547  -12.9453
            22  O1d O    18.8887  -15.9571
            23  O1d O    18.3941  -17.8722
            24  O1d O    20.2912  -18.3756
            25  C8x C    28.0593  -16.3886
            26  C8x C    29.2190  -14.3298
            27  C8y C    29.2190  -17.0540
            28  C8x C    30.4060  -15.0132
            29  N1b N    29.1582  -18.4208
            30  C8y C    30.4060  -16.3797
            31  C5a C    27.9893  -19.1130
            32  C1a C    31.5928  -17.0540
            33  C8y C    27.9893  -20.4796
            34  O5a O    26.8024  -18.4297
            35  C8x C    29.1762  -21.1449
            36  C8x C    26.8116  -21.1449
            37  C8y C    29.1762  -22.5206
            38  C8x C    26.8024  -22.5206
            39  N1b N    30.5838  -23.2757
            40  C8x C    27.9893  -23.2217
            41  C5a C    32.3251  -22.6348
            42  N1b N    33.9855  -23.1654
            43  O5a O    32.3251  -21.2683
            44  C8y C    35.5653  -22.5000
            45  C8x C    35.5653  -21.1424
            46  C8x C    36.7701  -23.1835
            47  C8y C    36.7521  -20.4590
            48  C8x C    37.9299  -22.5000
            49  C5a C    36.7429  -19.0925
            50  C8x C    37.9299  -21.1424
            51  N1b N    35.5384  -18.4003
            52  O5a O    37.9119  -18.4003
            53  C8y C    35.5384  -17.0426
            54  C8x C    36.7342  -16.3772
            55  C8y C    34.3515  -16.3952
            56  C8y C    36.7250  -15.0107
            57  C8x C    34.3426  -15.0195
            58  C1a C    33.1826  -17.0785
            59  C5a C    37.8938  -14.3093
            60  C8x C    35.5204  -14.3273
            61  N1b N    39.1076  -15.0015
            62  O5a O    37.8759  -12.9156
            63  C8y C    40.3124  -14.2824
            64  C8y C    41.5082  -15.0015
            65  C8x C    40.3124  -12.8888
            66  C8y C    42.7219  -14.3004
            67  C8y C    41.5082  -16.3952
            68  C8x C    41.5261  -12.2054
            69  C8y C    42.7311  -12.8977
            70  C8x C    43.9268  -15.0107
            71  C8x C    42.7131  -17.0966
            72  S4a S    40.3036  -17.0874
            73  S4a S    43.9448  -12.2054
            74  C8y C    43.9886  -16.4043
            75  O1d O    39.6202  -15.8737
            76  O1d O    39.0897  -17.7888
            77  O1d O    41.0228  -18.2923
            78  O1d O    45.1765  -11.4951
            79  S4a S    45.1405  -17.1054
            80  O1d O    44.4214  -18.3103
            81  O1d O    45.8239  -15.8917
            82  O1d O    46.3454  -17.8068
            83  O1d O    21.5710  -11.0304
            84  O1d O    20.0867  -13.4781
            85  O1d O    44.6657  -13.4621
            86  O1d O    43.2587  -11.0095
BOND        93
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14   10  15 1
            15   10  16 2
            16   10  17 2
            17   12  18 1
            18   13  19 1
            19   14  20 1
            20   14  21 2
            21   19  22 2
            22   19  23 2
            23   19  24 1
            24   20  25 2
            25   20  26 1
            26   25  27 1
            27   26  28 2
            28   27  29 1
            29   27  30 2
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   31  34 2
            34   33  35 2
            35   33  36 1
            36   35  37 1
            37   36  38 2
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   41  43 2
            43   42  44 1
            44   44  45 1
            45   44  46 2
            46   45  47 2
            47   46  48 1
            48   47  49 1
            49   47  50 1
            50   49  51 1
            51   49  52 2
            52   51  53 1
            53   53  54 2
            54   53  55 1
            55   54  56 1
            56   55  57 2
            57   55  58 1
            58   56  59 1
            59   56  60 2
            60   59  61 1
            61   59  62 2
            62   61  63 1
            63   63  64 1
            64   63  65 2
            65   64  66 2
            66   64  67 1
            67   65  68 1
            68   66  69 1
            69   66  70 1
            70   67  71 2
            71   67  72 1
            72   69  73 1
            73   70  74 2
            74   72  75 2
            75   72  76 2
            76   72  77 1
            77   73  78 1
            78   74  79 1
            79   79  80 1
            80   79  81 2
            81   79  82 2
            82    8  11 1
            83    9  13 1
            84   28  30 1
            85   38  40 1
            86   48  50 2
            87   57  60 1
            88   68  69 2
            89   71  74 1
            90   12  83 2
            91   12  84 2
            92   73  85 2
            93   73  86 2

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