KEGG   DRUG: SurotomycinHelp
Entry
D10380                      Drug                                   

Name
Surotomycin (USAN/INN)
Formula
C77H101N17O26
Exact mass
1679.7104
Mol weight
1680.7241
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antibacterial
 DG01579  Polypeptide antibiotic
Efficacy
Antibacterial
Comment
Polypeptide
Interaction
Drug interaction
Other DBs
CAS: 1233389-51-9
PubChem: 172232473
LinkDB All DBs
KCF data Show

ATOM        120
            1   C2b C    15.4000  -39.3400
            2   C5a C    16.5900  -40.0400
            3   N1b N    17.8500  -39.4100
            4   O5a O    16.5900  -41.4400
            5   C1c C    19.0400  -40.1100
            6   C5a C    20.3000  -39.4100
            7   N1b N    21.4900  -40.1800
            8   O5a O    20.3000  -38.0100
            9   C1c C    22.6800  -39.4800
            10  C5a C    23.8700  -40.1800
            11  C1b C    22.6800  -38.0800
            12  C5a C    23.8700  -37.3800
            13  N1a N    25.0600  -38.0800
            14  O5a O    23.8700  -35.9800
            15  N1b N    25.1300  -39.5500
            16  C1c C    26.3200  -40.2500
            17  O5a O    23.8700  -41.5800
            18  C1b C    19.0400  -41.5100
            19  C8y C    20.2300  -42.2100
            20  C8y C    20.6500  -43.5400
            21  C8y C    22.0500  -43.5400
            22  N4x N    22.4700  -42.2100
            23  C8x C    21.3500  -41.4400
            24  C8x C    19.9500  -44.7300
            25  C8x C    20.7200  -45.9900
            26  C8x C    22.0500  -45.9900
            27  C8x C    22.7500  -44.7300
            28  C5a C    27.5800  -39.5500
            29  C1b C    26.3200  -41.6500
            30  C6a C    27.5100  -42.3500
            31  O6a O    28.7700  -41.7200
            32  O6a O    27.5100  -43.7500
            33  N1b N    28.7700  -40.3200
            34  O5a O    27.5800  -38.1500
            35  C1c C    29.9600  -39.6200
            36  C1c C    31.5000  -40.3200
            37  C5a C    29.9600  -38.2200
            38  O5a O    31.1500  -37.5200
            39  N1b N    28.7700  -37.5200
            40  C1b C    28.7700  -36.1200
            41  C5a C    27.5800  -35.4200
            42  O5a O    26.3900  -36.1200
            43  N1b N    27.5800  -34.0200
            44  C1c C    26.3900  -33.3200
            45  C1b C    25.2000  -34.0200
            46  C5a C    26.3900  -31.9200
            47  C1b C    24.0100  -33.3200
            48  C1b C    22.8200  -34.0200
            49  N1a N    21.6300  -33.3200
            50  O5a O    25.2000  -31.2200
            51  N1b N    27.5800  -31.2200
            52  C1c C    28.2800  -30.0300
            53  C5a C    29.6800  -30.0300
            54  N1b N    30.3800  -31.2200
            55  C1b C    27.5800  -28.7700
            56  C6a C    26.1800  -28.7700
            57  O6a O    25.4800  -27.5800
            58  O6a O    25.4800  -29.9600
            59  O5a O    30.3800  -28.8400
            60  C1c C    31.5700  -31.9200
            61  C5a C    32.7600  -31.2200
            62  C1a C    31.5700  -33.3200
            63  N1b N    33.9500  -31.9200
            64  O5a O    32.7600  -29.8200
            65  C1c C    35.1400  -31.2200
            66  C5a C    36.3300  -31.9200
            67  C1b C    35.1400  -29.8200
            68  C6a C    36.3300  -29.1200
            69  O6a O    37.5900  -29.8200
            70  O6a O    36.3300  -27.7200
            71  N1b N    37.5200  -31.2200
            72  O5a O    36.3300  -33.3200
            73  C1b C    38.7800  -31.9200
            74  C5a C    38.7800  -33.3200
            75  N1b N    37.5200  -34.0200
            76  O5a O    39.9700  -34.0200
            77  C1c C    37.5200  -35.4200
            78  C5a C    36.3300  -36.1200
            79  C1b C    38.7800  -36.0500
            80  O1a O    39.9700  -35.3500
            81  O5a O    35.1400  -35.4200
            82  N1b N    36.3300  -37.5200
            83  C1c C    35.1400  -38.2200
            84  C1c C    33.9500  -37.5200
            85  C5a C    35.1400  -39.6200
            86  N1b N    33.9500  -40.3200
            87  O5a O    36.3300  -40.3200
            88  C1c C    33.9500  -41.7200
            89  C7a C    32.6900  -42.4200
            90  C1b C    35.1400  -42.4200
            91  O7a O    31.5000  -41.7200
            92  O6a O    32.6900  -43.8200
            93  C1a C    32.6900  -39.5500
            94  C1b C    33.9500  -36.1200
            95  C1a C    32.7600  -38.2200
            96  C6a C    32.7600  -35.4200
            97  O6a O    31.5700  -36.1200
            98  O6a O    32.7600  -34.0200
            99  C5a C    35.1400  -43.8200
            100 O5a O    33.9500  -44.5200
            101 C8y C    36.3300  -44.5200
            102 C8x C    36.3300  -45.9200
            103 C8x C    37.5900  -46.6200
            104 C8x C    38.7800  -45.9200
            105 C8x C    38.7800  -44.5200
            106 C8y C    37.5900  -43.8200
            107 N1a N    37.5900  -42.4200
            108 C2c C    14.2100  -40.0400
            109 C8y C    13.0200  -39.3400
            110 C1a C    14.2100  -41.4400
            111 C8x C    13.0200  -37.9400
            112 C8x C    11.8300  -37.2400
            113 C8y C    10.5700  -37.9400
            114 C8x C    10.5700  -39.3400
            115 C8x C    11.7600  -40.0400
            116 C1b C     9.3800  -37.2400
            117 C1b C     8.1200  -37.8700
            118 C1b C     6.9300  -37.1700
            119 C1b C     5.7400  -37.8700
            120 C1a C     4.5500  -37.1700
BOND        124
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     3   5 1
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8     7   9 1
            9     9  10 1
            10    9  11 1 #Down
            11   11  12 1
            12   12  13 1
            13   12  14 2
            14   10  15 1
            15   15  16 1
            16   10  17 2
            17    5  18 1 #Down
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   19  23 2
            24   20  24 2
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   21  27 2
            29   16  28 1
            30   16  29 1 #Down
            31   29  30 1
            32   30  31 1
            33   30  32 2
            34   28  33 1
            35   28  34 2
            36   35  33 1 #Down
            37   35  36 1
            38   35  37 1
            39   37  38 2
            40   37  39 1
            41   39  40 1
            42   40  41 1
            43   41  42 2
            44   41  43 1
            45   43  44 1
            46   44  45 1 #Up
            47   44  46 1
            48   45  47 1
            49   47  48 1
            50   48  49 1
            51   46  50 2
            52   46  51 1
            53   51  52 1
            54   52  53 1
            55   53  54 1
            56   52  55 1 #Up
            57   55  56 1
            58   56  57 1
            59   56  58 2
            60   53  59 2
            61   54  60 1
            62   60  61 1
            63   60  62 1 #Up
            64   61  63 1
            65   61  64 2
            66   63  65 1
            67   65  66 1
            68   65  67 1 #Up
            69   67  68 1
            70   68  69 1
            71   68  70 2
            72   66  71 1
            73   66  72 2
            74   71  73 1
            75   73  74 1
            76   74  75 1
            77   74  76 2
            78   75  77 1
            79   77  78 1
            80   77  79 1 #Down
            81   79  80 1
            82   78  81 2
            83   78  82 1
            84   82  83 1
            85   83  84 1
            86   83  85 1
            87   85  86 1
            88   85  87 2
            89   86  88 1
            90   88  89 1
            91   88  90 1 #Up
            92   89  91 1
            93   89  92 2
            94   91  36 1
            95   36  93 1 #Up
            96   84  94 1
            97   84  95 1 #Down
            98   94  96 1
            99   96  97 1
            100  96  98 2
            101  90  99 1
            102  99 100 2
            103  99 101 1
            104 101 102 2
            105 102 103 1
            106 103 104 2
            107 104 105 1
            108 105 106 2
            109 101 106 1
            110 106 107 1
            111   1 108 2
            112 108 109 1
            113 108 110 1
            114 109 111 2
            115 111 112 1
            116 112 113 2
            117 113 114 1
            118 114 115 2
            119 109 115 1
            120 113 116 1
            121 116 117 1
            122 117 118 1
            123 118 119 1
            124 119 120 1

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