KEGG   DRUG: Megalomicin potassium phosphate
Entry
D04896                      Drug                                   
Name
Megalomicin potassium phosphate (USAN)
Formula
C44H80N2O15. (H2PO4. K)2
Exact mass
1148.4214
Mol weight
1149.2815
Structure
Simcomp
Class
Antibacterial
 DG01551  Macrolide antibiotic
  DG01874  14-membered ring macrolide antibiotic
Efficacy
Antibacterial
Comment
Intra-Golgi transport inhibitor
Interaction
Brite
Drug groups [BR:br08330]
 Antibacterial
  DG01551  Macrolide antibiotic
   DG01874  14-membered ring macrolide antibiotic
    D04896  Megalomicin potassium phosphate
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    D04896  Megalomicin potassium phosphate (USAN)
Other DBs
CAS: 23319-48-4
PubChem: 47206660
LigandBox: D04896
LinkDB
KCF data

ATOM        73
            1   O2x O    25.7178  -14.7813
            2   C1y C    26.4104  -15.9886
            3   C1y C    26.4104  -13.5967
            4   C1x C    27.7836  -15.9886
            5   C1y C    27.7836  -13.5967
            6   C1y C    28.4703  -14.7870
            7   O1a O    28.4703  -12.3892
            8   N1c N    29.8544  -14.7839
            9   C1a C    25.7275  -12.4065
            10  C1a C    30.5489  -15.9811
            11  C1a C    30.5439  -13.5840
            12  C1y C    24.1212  -19.8077
            13  C1y C    22.8966  -20.5229
            14  O2a O    25.3115  -20.5171
            15  C1z C    24.1212  -18.4114
            16  C1y C    22.8966  -21.9249
            17  C1a C    21.9066  -19.5214
            18  C1y C    26.9313  -19.8077
            19  C1x C    22.8966  -17.7132
            20  C1a C    25.3058  -17.9478
            21  O2a O    24.3272  -16.9980
            22  O2a O    24.1097  -22.5372
            23  C1y C    21.6892  -22.6230
            24  C1y C    27.6239  -21.0150
            25  O2x O    27.6239  -18.6231
            26  C1y C    22.8966  -16.3054
            27  C1y C    24.7793  -24.0367
            28  C7x C    20.4817  -21.9249
            29  C1a C    21.6892  -24.0423
            30  C1y C    28.9971  -21.0150
            31  O1a O    26.8397  -22.1310
            32  C1y C    28.9971  -18.6231
            33  C5x C    21.6892  -15.5958
            34  C1a C    24.1212  -15.5958
            35  C1x C    24.7736  -25.3758
            36  O2x O    25.9294  -23.3788
            37  O7x O    20.4817  -20.5229
            38  O6a O    19.6634  -22.4915
            39  C1x C    29.6837  -19.8133
            40  N1c N    30.1131  -22.0279
            41  C1a C    29.6837  -17.4157
            42  C1y C    20.4817  -16.3054
            43  O5x O    21.6892  -14.1996
            44  C1z C    25.9124  -26.0455
            45  C1y C    27.0855  -24.0597
            46  C1y C    19.2513  -19.8077
            47  C1a C    31.1774  -21.3241
            48  C1a C    31.2461  -22.7261
            49  C1y C    20.4817  -17.7132
            50  C1a C    19.2513  -15.5958
            51  C1y C    27.0740  -25.3931
            52  C1a C    26.7592  -27.0811
            53  O1a O    25.0941  -27.1499
            54  C1a C    28.2186  -23.3730
            55  C1z C    19.2513  -18.4114
            56  C1b C    18.0324  -20.5058
            57  O1a O    21.6834  -18.4056
            58  O1a O    28.2128  -26.0455
            59  C1a C    18.0038  -17.8336
            60  O1a O    19.2340  -16.8374
            61  C1a C    18.0210  -21.9134
            62  P1b P    37.4999  -20.7080
            63  O1c O    37.4999  -19.3334
            64  O1c O    37.4999  -22.0827
            65  O1c O    38.9433  -20.7080 #-
            66  O1c O    36.1940  -20.7080
            67  Z   K    40.4600  -20.7200 #+
            68  P1b P    37.4999  -20.7080
            69  O1c O    37.4999  -22.0827
            70  O1c O    38.9433  -20.7080 #-
            71  O1c O    36.1940  -20.7080
            72  O1c O    37.4999  -19.3334
            73  Z   K    40.4600  -20.7200 #+
BOND        72
            1     5   7 1 #Down
            2     5   6 1
            3     6   8 1 #Down
            4     1   2 1
            5     3   9 1 #Up
            6     1   3 1
            7     8  10 1
            8     2   4 1
            9     8  11 1
            10    3   5 1
            11    4   6 1
            12   12  13 1
            13   12  14 1 #Down
            14   12  15 1
            15   13  16 1
            16   13  17 1 #Down
            17   18  14 1 #Down
            18   15  19 1
            19   15  20 1 #Down
            20   15  21 1 #Up
            21   16  22 1 #Down
            22   16  23 1
            23   18  24 1
            24   18  25 1
            25   19  26 1
            26   27  22 1 #Down
            27   23  28 1
            28   23  29 1 #Up
            29   24  30 1
            30   24  31 1 #Up
            31   25  32 1
            32   26  33 1
            33   26  34 1 #Down
            34   27  35 1
            35   27  36 1
            36   28  37 1
            37   28  38 2
            38   30  39 1
            39   30  40 1 #Down
            40   32  41 1 #Down
            41   33  42 1
            42   33  43 2
            43   35  44 1
            44   36  45 1
            45   37  46 1
            46   40  47 1
            47   40  48 1
            48   42  49 1
            49   42  50 1 #Up
            50   44  51 1
            51   44  52 1 #Up
            52   44  53 1 #Down
            53   45  54 1 #Up
            54   46  55 1
            55   46  56 1 #Down
            56   49  57 1 #Up
            57   51  58 1 #Down
            58   55  59 1 #Down
            59   55  60 1 #Up
            60   56  61 1
            61   32  39 1
            62   45  51 1
            63   49  55 1
            64    2  21 1 #Down
            65   62  64 1
            66   62  65 1
            67   62  66 1
            68   62  63 2
            69   68  69 1
            70   68  70 1
            71   68  71 1
            72   68  72 2
BRACKET     1    34.7200  -22.4700   34.7200  -18.9700
            1    41.4400  -18.9700   41.4400  -22.4700
            1  2
 ORIGINAL  1   62  64  65  66  63  67
 REPEAT    1   68  69  70  71  72  73

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