KEGG   DRUG: Colistimethate sodiumHelp
Entry
D02049                      Drug                                   

Name
Colistimethate sodium (USP);
Colistin sodium methanesulfonate (JP17);
Coly-Mycin M (TN);
Methacolimycin (TN)
Product
  Generic
Formula
C49H88N16O27S5R. 5Na
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antibacterial
 DG01579  Polypeptide antibiotic
Remark
Same as: 
Therapeutic category: 
ATC code: 
Chemical group: 
Efficacy
Antibacterial, Cell membrane function inhibitor
Comment
Colistin A component (R = 6-methyloctanoic acid)
Colistin B component (R = 6-methylheptanoic acid)
Polypeptide
Target
Lipopolysaccharide
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07A INTESTINAL ANTIINFECTIVES
    A07AA Antibiotics
     A07AA10 Colistin
      D02049  Colistimethate sodium (USP)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XB Polymyxins
     J01XB01 Colistin
      D02049  Colistimethate sodium (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   612  Acting mainly on gram-negative bacteria
    6125  Colistins
     D02049  Colistimethate sodium (USP); Colistin sodium methanesulfonate (JP17)
Antiinfectives [BR:br08307]
 Antibacterials
  Cell membrane function inhibitor
   Polypeptides
    Colistin
     D02049  Colistimethate sodium (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02049  Colistin sodium methanesulfonate
Antibacterials [br08350.html]
 D02049
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D02049
BRITE hierarchy
Other DBs
CAS: 
8068-28-8
PubChem: 
ChEBI: 
DrugBank: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        103
            1   C1c C    24.8009  -11.9720
            2   N1b N    24.8009  -13.3639
            3   N1b N    27.2134  -11.9720
            4   C5a C    26.0071  -11.2761
            5   C5a C    29.6257  -11.9720
            6   C1c C    28.4195  -11.2761
            7   C1c C    32.0383  -11.9720
            8   N1b N    30.8320  -11.2761
            9   C5a C    23.5947  -14.0596
            10  C1c C    23.5947  -15.4514
            11  C1b C    24.8009  -16.1472
            12  C1b C    24.8009  -17.5391
            13  N1b N    26.0071  -18.2350
            14  C5a C    27.2134  -17.5391
            15  C1c C    28.4195  -18.2350
            16  N1b N    29.6257  -17.5391
            17  C5a C    30.8320  -18.2350
            18  C1c C    32.0383  -17.5391
            19  O5a O    26.0071   -9.8843
            20  C1c C    34.4508  -11.9720
            21  C1b C    33.2445  -11.2761
            22  C1b C    28.4195   -9.4667
            23  C5a C    32.0383  -13.3639
            24  C1a C    35.6569  -11.2761
            25  C1a C    34.4508  -13.3639
            26  O5a O    30.8320  -14.0596
            27  C1c C    29.6257   -8.7708
            28  C1a C    30.8784   -9.4667
            29  C1a C    29.6257   -7.3326
            30  O5a O    29.6257  -13.3639
            31  C1b C    23.5947  -11.2761
            32  O5a O    22.3884  -13.3639
            33  N1b N    22.3884  -16.1472
            34  O5a O    27.2134  -16.1472
            35  C1c C    28.4195  -19.7661
            36  O1a O    29.6257  -20.4620
            37  C1a C    27.2134  -20.4620
            38  O5a O    30.8320  -19.6268
            39  N1b N    32.0383  -16.1472
            40  C5a C    33.4300  -16.1472
            41  N1b N    33.2445  -14.0596
            42  C1c C    34.1260  -14.9875
            43  C1b C    35.5178  -14.9875
            44  C1b C    33.2435  -18.2352
            45  C1b C    33.2450  -19.6268
            46  N1b N    34.4506  -20.3223
            47  C1b C    23.5942   -9.8845
            48  N1b N    22.3888   -9.1920
            49  C5a C    21.1839  -15.4523
            50  C1c C    19.9785  -16.1481
            51  N1b N    18.7732  -15.4523
            52  C5a C    17.5676  -16.1481
            53  C1c C    16.3622  -15.4523
            54  N1b N    15.1568  -16.1481
            55  C5a C    13.9513  -15.4523
            56  C1c C    12.7459  -16.1481
            57  N1b N    11.5406  -15.4523
            58  O5a O    21.1837  -14.0604
            59  C1b C    19.9785  -17.5401
            60  O5a O    17.5676  -17.5401
            61  C1c C    16.3622  -13.7821
            62  C1a C    15.1535  -13.0842
            63  O1a O    17.5644  -13.0881
            64  O5a O    13.9513  -14.0604
            65  C1b C    12.7459  -17.5401
            66  C1b C    18.7695  -18.2329
            67  N1b N    18.7658  -19.6248
            68  C1b C    17.5586  -20.3175
            69  C1b C    11.5353  -18.2392
            70  N1b N    11.5326  -19.6282
            71  C1b C    10.3334  -20.3345
            72  O5a O    34.1171  -17.3605
            73  R   R    10.3293  -16.1517
            74  C1b C    21.2054   -9.8791
            75  S4a S    20.0206   -9.1988
            76  O1d O    18.8150   -8.5028 #-
            77  O1d O    19.3372  -10.3863
            78  O1d O    20.7257   -7.9735
            79  S4a S     9.0964  -19.6333
            80  O1d O     7.8909  -18.9373 #-
            81  O1d O     8.4130  -20.8284
            82  O1d O     9.7949  -18.4119
            83  S4a S    16.3466  -19.6134
            84  O1d O    15.1411  -18.9174 #-
            85  O1d O    17.0404  -18.4156
            86  O1d O    15.6451  -20.8245
            87  C1b C    36.2002  -16.1692
            88  N1b N    37.5875  -16.1691
            89  C1b C    38.2754  -17.3599
            90  S4a S    39.6754  -17.3598
            91  O1d O    41.0674  -17.3598
            92  O1d O    39.6754  -15.9409 #-
            93  O1d O    39.6755  -18.7250
            94  C1b C    35.6593  -19.6238
            95  S4a S    36.8818  -20.3294
            96  O1d O    38.0940  -21.0292 #-
            97  O1d O    37.5965  -19.0921
            98  O1d O    36.1965  -21.5158
            99  Z   Na    7.7624  -17.8711 #+
            100 Z   Na   13.2467  -18.8055 #+
            101 Z   Na   39.5438  -21.0678 #+
            102 Z   Na   39.4418  -14.7867 #+
            103 Z   Na   16.8465   -8.4240 #+
BOND        98
            1     1   2 1
            2     3   4 1
            3     1   4 1
            4     5   6 1
            5     3   6 1
            6     7   8 1
            7     5   8 1
            8     2   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18    4  19 2
            19   20  21 1
            20    7  21 1
            21    6  22 1
            22    7  23 1
            23   20  24 1
            24   20  25 1
            25   23  26 2
            26   22  27 1
            27   27  28 1
            28   27  29 1
            29    5  30 2
            30    1  31 1
            31    9  32 2
            32   10  33 1
            33   14  34 2
            34   15  35 1
            35   35  36 1
            36   35  37 1
            37   17  38 2
            38   18  39 1
            39   39  40 1
            40   23  41 1
            41   40  42 1
            42   41  42 1
            43   42  43 1
            44   18  44 1
            45   44  45 1
            46   45  46 1
            47   31  47 1
            48   47  48 1
            49   33  49 1
            50   49  50 1
            51   50  51 1
            52   51  52 1
            53   52  53 1
            54   53  54 1
            55   54  55 1
            56   55  56 1
            57   56  57 1
            58   49  58 2
            59   50  59 1
            60   52  60 2
            61   53  61 1
            62   61  62 1
            63   61  63 1
            64   55  64 2
            65   56  65 1
            66   59  66 1
            67   66  67 1
            68   67  68 1
            69   65  69 1
            70   69  70 1
            71   70  71 1
            72   40  72 2
            73   57  73 1
            74   48  74 1
            75   74  75 1
            76   75  76 1
            77   75  77 2
            78   75  78 2
            79   71  79 1
            80   79  80 1
            81   79  81 2
            82   79  82 2
            83   68  83 1
            84   83  84 1
            85   83  85 2
            86   83  86 2
            87   43  87 1
            88   87  88 1
            89   88  89 1
            90   89  90 1
            91   90  91 2
            92   90  92 1
            93   90  93 2
            94   46  94 1
            95   94  95 1
            96   95  96 1
            97   95  97 2
            98   95  98 2

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