KEGG   DRUG: Maduramicin
Entry
D04830                      Drug                                   
Name
Maduramicin (USAN/INN)
Formula
C47H80O17. NH3
Exact mass
933.5661
Mol weight
934.1584
Structure
Simcomp
Efficacy
Coccidiostat
Comment
ionophore
Other DBs
CAS: 84878-61-5
PubChem: 47206616
ChEBI: 189929
LigandBox: D04830
NIKKAJI: J2.125.010D
KCF data

ATOM        65
            1   N0  N    33.6000  -40.6000
            2   C1z C    29.2600  -35.9800
            3   O2x O    30.5900  -37.0300
            4   O2x O    28.5600  -37.1700
            5   C1x C    29.8900  -34.8600
            6   C1x C    28.5600  -34.8600
            7   C1z C    31.9200  -35.9800
            8   C1y C    27.2300  -37.1700
            9   C1x C    31.2200  -34.8600
            10  C1y C    27.2300  -34.8600
            11  C1y C    33.2500  -35.9800
            12  C1c C    26.5300  -38.3600
            13  C1y C    26.5300  -35.9800
            14  O1a O    26.5300  -33.6700
            15  O2x O    34.6500  -37.0300
            16  C1x C    33.9500  -34.7900
            17  C1y C    25.2000  -38.3600
            18  C1a C    27.2300  -39.4800
            19  C1a C    25.2000  -35.9800
            20  C1z C    35.9800  -35.9800
            21  C1x C    35.2800  -34.7900
            22  C1y C    24.5000  -39.4800
            23  C1y C    37.3100  -35.9800
            24  C1a C    36.6100  -34.7900
            25  C1y C    23.1700  -39.4800
            26  O2a O    25.2000  -40.6700
            27  O2x O    38.7100  -36.9600
            28  O2a O    22.4700  -40.6700
            29  C1y C    39.9700  -35.9800
            30  C1x C    39.3400  -34.7900
            31  C1y C    41.3700  -35.9800
            32  O2x O    42.0000  -37.1700
            33  C1y C    42.0000  -34.7900
            34  C1z C    43.3300  -37.1700
            35  C1x C    43.3300  -34.7900
            36  C1a C    41.3000  -33.6700
            37  C1y C    44.0300  -35.9800
            38  C1a C    44.7300  -37.1700
            39  O1a O    43.3300  -38.5000
            40  C1a C    45.3600  -35.9800
            41  O2a O    37.9400  -33.4600
            42  C1a C    31.9200  -37.5200
            43  C1y C    38.0100  -34.7900
            44  O2x O    24.5000  -37.1000
            45  C1z C    23.1700  -37.1000
            46  C1y C    22.4700  -38.2900
            47  C1a C    21.0700  -38.2900
            48  C1a C    21.0700  -40.6700
            49  C1a C    24.5000  -41.8600
            50  C1b C    22.4700  -35.9100
            51  C6a C    23.1700  -34.7200
            52  O6a O    24.5700  -34.7200
            53  O6a O    22.4700  -33.5300
            54  O1a O    21.7700  -37.1000
            55  C1y C    38.9200  -32.4800
            56  C1x C    40.3200  -32.4800
            57  C1y C    41.0200  -31.2900
            58  C1y C    40.3200  -30.0300
            59  C1y C    38.9200  -30.0300
            60  O2x O    38.2200  -31.2900
            61  C1a C    38.2200  -28.8400
            62  O2a O    41.0200  -28.8400
            63  C1a C    42.4200  -28.8400
            64  O2a O    42.4200  -31.2900
            65  C1a C    43.1200  -32.4800
BOND        70
            1    11  15 1
            2    11  16 1
            3    12  17 1
            4    12  18 1 #Up
            5    13  19 1 #Down
            6    20  15 1
            7    16  21 1
            8    17  22 1
            9    20  23 1
            10   20  24 1 #Down
            11   22  25 1
            12   22  26 1 #Down
            13   23  27 1
            14   23  43 1
            15   25  28 1 #Up
            16   27  29 1
            17   43  30 1
            18   29  31 1
            19   31  32 1
            20   31  33 1
            21   32  34 1
            22   33  35 1
            23   33  36 1 #Up
            24   34  37 1
            25   34  38 1 #Down
            26   34  39 1 #Up
            27   37  40 1 #Up
            28    7   9 1
            29   10  13 1
            30   20  21 1
            31   29  30 1
            32   35  37 1
            33    2   3 1 #Up
            34    2   4 1
            35    2   5 1 #Down
            36    2   6 1
            37    7   3 1
            38   43  41 1 #Up
            39    8   4 1
            40    5   9 1
            41    6  10 1
            42    7  42 1 #Down
            43    7  11 1
            44    8  12 1
            45    8  13 1
            46   10  14 1 #Up
            47   17  44 1
            48   44  45 1
            49   45  46 1
            50   25  46 1
            51   46  47 1 #Down
            52   28  48 1
            53   26  49 1
            54   45  50 1 #Up
            55   50  51 1
            56   51  52 1
            57   51  53 2
            58   45  54 1 #Down
            59   55  41 1 #Up
            60   55  56 1
            61   56  57 1
            62   57  58 1
            63   58  59 1
            64   59  60 1
            65   55  60 1
            66   59  61 1 #Up
            67   58  62 1 #Down
            68   62  63 1
            69   57  64 1 #Up
            70   64  65 1

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