KEGG   COMPOUND: C13768Help
Entry
C13768                      Compound                               

Name
Colistin sulfate
Formula
(C52H97N16O13R)2. 5H2SO4
Structure
Mol fileKCF fileDB search
Remark
Same as: D02138
Comment
Colistin A (R = CH3)
Colistin B (R = H)
Pathway
map02010  ABC transporters
map02020  Two-component system
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
      D02138  Colistin sulfate (JP17/USP)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XB Polymyxins
     J01XB01 Colistin
      D02138  Colistin sulfate (JP17/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  56 Purulent skin remedies
   D02138  Colistin sulfate (JP17/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Colistin
    D02138  Colistin sulfate (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02138  Colistin sulfate
BRITE hierarchy
Other DBs
CAS: 1264-72-8
PubChem: 7846929
ChEBI: 37943
NIKKAJI: J203.505G
KCF data Show

ATOM        189
            1   S4a S    43.6701  -14.7959
            2   O1d O    43.6701  -16.1907
            3   O1d O    45.0651  -14.7959
            4   O1d O    43.6701  -13.4008
            5   O1d O    42.2752  -14.7959
            6   C1c C    29.0852  -20.3961
            7   C1a C    30.2836  -21.0898
            8   O1a O    27.8796  -21.0898
            9   C1c C    25.4686  -12.4788
            10  N1b N    25.4686  -13.8734
            11  N1b N    27.8796  -12.4788
            12  C5a C    26.6811  -11.7848
            13  C5a C    30.2836  -12.4788
            14  C1c C    29.0852  -11.7848
            15  C1c C    32.6946  -12.4788
            16  N1b N    31.4890  -11.7848
            17  C5a C    24.2701  -14.5603
            18  C1c C    24.2701  -15.9481
            19  C1b C    25.4686  -16.6487
            20  C1b C    25.4686  -18.0365
            21  N1b N    26.6811  -18.7233
            22  C5a C    27.8796  -18.0365
            23  C1c C    29.0852  -18.7233
            24  N1b N    30.2836  -18.0365
            25  C5a C    31.4890  -18.7233
            26  C1c C    32.6946  -18.0365
            27  O5a O    26.6811  -10.3972
            28  C1c C    35.0986  -12.4788
            29  C1b C    33.8932  -11.7848
            30  C1b C    29.0852   -9.9093
            31  C5a C    32.6946  -13.8734
            32  C1a C    36.3039  -11.7848
            33  C1a C    35.0986  -13.8734
            34  O5a O    31.4890  -14.5603
            35  C1c C    30.2836   -9.2154
            36  C1a C    31.5381   -9.9093
            37  C1a C    30.2836   -7.7857
            38  O5a O    30.2836  -13.8734
            39  C1b C    24.2701  -11.7848
            40  O5a O    23.0648  -13.8734
            41  N1b N    23.0648  -16.6487
            42  O5a O    27.8796  -16.6487
            43  O5a O    31.4890  -20.1182
            44  N1b N    32.6946  -16.6487
            45  C5a C    34.0822  -16.6487
            46  N1b N    33.8932  -14.5603
            47  C1c C    34.7760  -15.4854
            48  C1b C    36.1637  -15.4854
            49  C1b C    33.8932  -18.7233
            50  C1b C    33.8932  -20.1182
            51  N1a N    35.0986  -20.8119
            52  C1b C    24.2701  -10.3972
            53  N1a N    23.0648   -9.7033
            54  C5a C    21.8662  -15.9481
            55  C1c C    20.6608  -16.6487
            56  N1b N    19.4624  -15.9481
            57  C5a C    18.2568  -16.6487
            58  C1c C    17.0443  -15.9481
            59  N1b N    15.8460  -16.6487
            60  C5a C    14.6404  -15.9481
            61  C1c C    13.4419  -16.6487
            62  N1b N    12.2364  -15.9481
            63  C5a C    11.0380  -16.6487
            64  C1b C     9.8324  -15.9481
            65  C1b C     8.6340  -16.6487
            66  C1b C     7.4215  -15.9481
            67  C1b C     6.2161  -16.6487
            68  C1c C     5.0176  -15.9481
            69  C1b C     3.8120  -16.6487
            70  R   R     2.6135  -15.9481
            71  O5a O    21.8662  -14.5603
            72  C1b C    20.6608  -18.0365
            73  O5a O    18.2568  -18.0365
            74  C1c C    17.0443  -14.2129
            75  C1a C    15.8460  -13.5261
            76  O1a O    18.2568  -13.5261
            77  O5a O    14.6404  -14.5603
            78  C1b C    13.4419  -18.0365
            79  O5a O    11.0380  -18.0365
            80  C1a C     5.0176  -14.5603
            81  C1b C    19.4624  -18.7233
            82  N1a N    19.4624  -20.1182
            83  C1b C    12.2364  -18.7233
            84  N1a N    12.2364  -20.1182
            85  O5a O    34.7760  -17.8472
            86  C1b C    36.8734  -16.7137
            87  N1a N    38.2820  -16.7137
            88  S4a S    43.6701  -14.7959
            89  O1d O    43.6701  -16.1907
            90  O1d O    45.0651  -14.7959
            91  O1d O    43.6701  -13.4008
            92  O1d O    42.2752  -14.7959
            93  S4a S    43.6701  -14.7959
            94  O1d O    43.6701  -16.1907
            95  O1d O    45.0651  -14.7959
            96  O1d O    43.6701  -13.4008
            97  O1d O    42.2752  -14.7959
            98  S4a S    43.6701  -14.7959
            99  O1d O    43.6701  -16.1907
            100 O1d O    45.0651  -14.7959
            101 O1d O    43.6701  -13.4008
            102 O1d O    42.2752  -14.7959
            103 S4a S    43.6701  -14.7959
            104 O1d O    43.6701  -16.1907
            105 O1d O    45.0651  -14.7959
            106 O1d O    43.6701  -13.4008
            107 O1d O    42.2752  -14.7959
            108 C1c C    29.0852  -20.3961
            109 C1a C    30.2836  -21.0898
            110 O1a O    27.8796  -21.0898
            111 C1c C    29.0852  -18.7233
            112 C5a C    27.8796  -18.0365
            113 O5a O    27.8796  -16.6487
            114 N1b N    26.6811  -18.7233
            115 C1b C    25.4686  -18.0365
            116 C1b C    25.4686  -16.6487
            117 C1c C    24.2701  -15.9481
            118 N1b N    23.0648  -16.6487
            119 C5a C    21.8662  -15.9481
            120 C1c C    20.6608  -16.6487
            121 N1b N    19.4624  -15.9481
            122 C5a C    18.2568  -16.6487
            123 C1c C    17.0443  -15.9481
            124 N1b N    15.8460  -16.6487
            125 C5a C    14.6404  -15.9481
            126 C1c C    13.4419  -16.6487
            127 N1b N    12.2364  -15.9481
            128 C5a C    11.0380  -16.6487
            129 C1b C     9.8324  -15.9481
            130 C1b C     8.6340  -16.6487
            131 C1b C     7.4215  -15.9481
            132 C1b C     6.2161  -16.6487
            133 C1c C     5.0176  -15.9481
            134 C1b C     3.8120  -16.6487
            135 R   R     2.6135  -15.9481
            136 C1a C     5.0176  -14.5603
            137 O5a O    11.0380  -18.0365
            138 C1b C    13.4419  -18.0365
            139 C1b C    12.2364  -18.7233
            140 N1a N    12.2364  -20.1182
            141 O5a O    14.6404  -14.5603
            142 C1c C    17.0443  -14.2129
            143 C1a C    15.8460  -13.5261
            144 O1a O    18.2568  -13.5261
            145 O5a O    18.2568  -18.0365
            146 C1b C    20.6608  -18.0365
            147 C1b C    19.4624  -18.7233
            148 N1a N    19.4624  -20.1182
            149 O5a O    21.8662  -14.5603
            150 C5a C    24.2701  -14.5603
            151 O5a O    23.0648  -13.8734
            152 N1b N    25.4686  -13.8734
            153 C1c C    25.4686  -12.4788
            154 C1b C    24.2701  -11.7848
            155 C1b C    24.2701  -10.3972
            156 N1a N    23.0648   -9.7033
            157 C5a C    26.6811  -11.7848
            158 O5a O    26.6811  -10.3972
            159 N1b N    27.8796  -12.4788
            160 C1c C    29.0852  -11.7848
            161 C1b C    29.0852   -9.9093
            162 C1c C    30.2836   -9.2154
            163 C1a C    31.5381   -9.9093
            164 C1a C    30.2836   -7.7857
            165 C5a C    30.2836  -12.4788
            166 O5a O    30.2836  -13.8734
            167 N1b N    31.4890  -11.7848
            168 C1c C    32.6946  -12.4788
            169 C1b C    33.8932  -11.7848
            170 C1c C    35.0986  -12.4788
            171 C1a C    36.3039  -11.7848
            172 C1a C    35.0986  -13.8734
            173 C5a C    32.6946  -13.8734
            174 O5a O    31.4890  -14.5603
            175 N1b N    33.8932  -14.5603
            176 C1c C    34.7760  -15.4854
            177 C5a C    34.0822  -16.6487
            178 N1b N    32.6946  -16.6487
            179 C1c C    32.6946  -18.0365
            180 C5a C    31.4890  -18.7233
            181 N1b N    30.2836  -18.0365
            182 O5a O    31.4890  -20.1182
            183 C1b C    33.8932  -18.7233
            184 C1b C    33.8932  -20.1182
            185 N1a N    35.0986  -20.8119
            186 O5a O    34.7760  -17.8472
            187 C1b C    36.1637  -15.4854
            188 C1b C    36.8734  -16.7137
            189 N1a N    38.2820  -16.7137
BOND        184
            1     1   2 2
            2     1   3 1
            3     1   4 2
            4     1   5 1
            5    88  89 2
            6    88  90 1
            7    88  91 2
            8    88  92 1
            9    93  94 2
            10   93  95 1
            11   93  96 2
            12   93  97 1
            13   98  99 2
            14   98 100 1
            15   98 101 2
            16   98 102 1
            17  103 104 2
            18  103 105 1
            19  103 106 2
            20  103 107 1
            21    6   7 1
            22    6   8 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   12  27 2
            28   28  29 1
            29   15  29 1
            30   14  30 1
            31   15  31 1
            32   28  32 1
            33   28  33 1
            34   31  34 2
            35   30  35 1
            36   35  36 1
            37   35  37 1
            38   13  38 2
            39    9  39 1
            40   17  40 2
            41   18  41 1
            42   22  42 2
            43   25  43 2
            44   26  44 1
            45   44  45 1
            46   31  46 1
            47   45  47 1
            48   46  47 1
            49   47  48 1
            50   26  49 1
            51   49  50 1
            52   50  51 1
            53   39  52 1
            54   52  53 1
            55   41  54 1
            56   54  55 1
            57   55  56 1
            58   56  57 1
            59   57  58 1
            60   58  59 1
            61   59  60 1
            62   60  61 1
            63   61  62 1
            64   62  63 1
            65   63  64 1
            66   64  65 1
            67   65  66 1
            68   66  67 1
            69   67  68 1
            70   68  69 1
            71   69  70 1
            72   54  71 2
            73   55  72 1
            74   57  73 2
            75   58  74 1
            76   74  75 1
            77   74  76 1
            78   60  77 2
            79   61  78 1
            80   63  79 2
            81   68  80 1
            82   72  81 1
            83   81  82 1
            84   78  83 1
            85   83  84 1
            86   45  85 2
            87    9  10 1
            88   11  12 1
            89    9  12 1
            90   13  14 1
            91   11  14 1
            92   15  16 1
            93   13  16 1
            94   10  17 1
            95   17  18 1
            96   18  19 1
            97   19  20 1
            98   20  21 1
            99   21  22 1
            100   6  23 1
            101  48  86 1
            102  86  87 1
            103 108 109 1
            104 108 110 1
            105 112 111 1
            106 111 181 1
            107 181 180 1
            108 180 179 1
            109 157 158 2
            110 170 169 1
            111 168 169 1
            112 160 161 1
            113 168 173 1
            114 170 171 1
            115 170 172 1
            116 173 174 2
            117 161 162 1
            118 162 163 1
            119 162 164 1
            120 165 166 2
            121 153 154 1
            122 150 151 2
            123 117 118 1
            124 112 113 2
            125 180 182 2
            126 179 178 1
            127 178 177 1
            128 173 175 1
            129 177 176 1
            130 175 176 1
            131 176 187 1
            132 179 183 1
            133 183 184 1
            134 184 185 1
            135 154 155 1
            136 155 156 1
            137 118 119 1
            138 119 120 1
            139 120 121 1
            140 121 122 1
            141 122 123 1
            142 123 124 1
            143 124 125 1
            144 125 126 1
            145 126 127 1
            146 127 128 1
            147 128 129 1
            148 129 130 1
            149 130 131 1
            150 131 132 1
            151 132 133 1
            152 133 134 1
            153 134 135 1
            154 119 149 2
            155 120 146 1
            156 122 145 2
            157 123 142 1
            158 142 143 1
            159 142 144 1
            160 125 141 2
            161 126 138 1
            162 128 137 2
            163 133 136 1
            164 146 147 1
            165 147 148 1
            166 138 139 1
            167 139 140 1
            168 177 186 2
            169 153 152 1
            170 159 157 1
            171 153 157 1
            172 165 160 1
            173 159 160 1
            174 168 167 1
            175 165 167 1
            176 152 150 1
            177 150 117 1
            178 117 116 1
            179 116 115 1
            180 115 114 1
            181 114 112 1
            182 108 111 1
            183 187 188 1
            184 188 189 1
BRACKET     1    41.0200  -17.1500   41.0200  -12.2500
            1    46.2000  -12.1800   46.2000  -17.0800
            1  5
 ORIGINAL  1    1   2   3   4   5
 REPEAT    1   88  89  90  91  92  93  94  95  96  97  98  99 100 101 102 103
            1  104 105 106 107
            2     2.3800  -21.7700    2.3800   -7.1400
            2    39.6200   -7.1400   39.6200  -21.7700
            2  2
 ORIGINAL  2    6   7   8  23  22  42  21  20  19  18  41  54  55  56  57  58
            2   59  60  61  62  63  64  65  66  67  68  69  70  80  79  78  83
            2   84  77  74  75  76  73  72  81  82  71  17  40  10   9  39  52
            2   53  12  27  11  14  30  35  36  37  13  38  16  15  29  28  32
            2   33  31  34  46  47  45  44  26  25  24  43  49  50  51  85  48
            2   86  87
 REPEAT    2  108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123
            2  124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139
            2  140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155
            2  156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171
            2  172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187
            2  188 189

» Japanese version

KEGG   COMPOUND: C11612Help
Entry
C11612                      Compound                               

Name
Polymyxin B
Formula
C55H95N16O13R
Structure
Mol fileKCF fileDB search
Remark
Same as: D08401
Comment
Generic compound
Polymyxin B1 (R = CH3)
Polymyxin B2 (R = H)
Pathway
map02010  ABC transporters
map02020  Two-component system
Brite
Compounds with biological roles [BR:br08001]
 Antibiotics
  Polyketides and nonribosomal peptides
   Non-ribosomal peptides
    C11612  Polymyxin B
Lipids [BR:br08002]
 PK  Polyketides
  PK14 Non-ribosomal peptide/polyketide hybrids
   C11612  Polymyxin B
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07A INTESTINAL ANTIINFECTIVES
    A07AA Antibiotics
     A07AA05 Polymyxin B
      D08401  Polymyxin B (INN)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XB Polymyxins
     J01XB02 Polymyxin B
      D08401  Polymyxin B (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA18 Polymyxin B
      D08401  Polymyxin B (INN)
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA11 Polymyxin B
      D08401  Polymyxin B (INN)
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03A ANTIINFECTIVES
    S03AA Antiinfectives
     S03AA03 Polymyxin B
      D08401  Polymyxin B (INN)
USP drug classification [BR:br08302]
 Antibacterials
  Antibacterials, Other
   Polymyxin B
    D08401  Polymyxin B (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Polymyxin B
    D08401  Polymyxin B (INN)
BRITE hierarchy
Other DBs
CAS: 1404-26-8
PubChem: 13777
ChEBI: 59063
LIPIDMAPS: LMPK14000008
NIKKAJI: J301.776A
KCF data Show

ATOM        85
            1   N1b N    30.8251  -19.9729
            2   C1c C    29.7148  -13.8034
            3   C5a C    30.8751  -13.1257
            4   O5a O    30.8673  -11.7784
            5   N1b N    28.5429  -13.1320
            6   C1c C    36.6541  -19.3830
            7   N1b N    34.3226  -19.3705
            8   C1c C    33.1529  -20.0379
            9   C5a C    31.9949  -19.3578
            10  O5a O    31.9903  -18.2361
            11  C5a C    35.4881  -20.0438
            12  O5a O    35.4846  -21.3982
            13  N1b N    36.6456  -18.0287
            14  C5a C    37.8159  -17.3444
            15  O5a O    38.9873  -18.0144
            16  C1c C    37.7652  -14.0642
            17  N1b N    32.0463  -13.7961
            18  C1c C    33.2172  -13.1118
            19  C5a C    34.3812  -13.7890
            20  O5a O    34.3460  -15.1365
            21  N1b N    35.5452  -13.1047
            22  C1b C    38.8828  -13.3143
            23  C1c C    40.0944  -13.9086
            24  C1a C    41.2190  -13.1587
            25  C1a C    40.1182  -15.2528
            26  C1b C    33.2142  -11.7645
            27  C8y C    34.3800  -11.0846
            28  C8x C    35.5414  -11.7623
            29  C8x C    36.7073  -11.0824
            30  C8x C    36.7042   -9.7351
            31  C8x C    35.5353   -9.0605
            32  C8x C    34.3695   -9.7403
            33  C1b C    37.8287  -20.0528
            34  C1b C    37.8291  -21.4072
            35  N1a N    38.9966  -22.0770
            36  C1b C    33.1446  -21.3923
            37  C1b C    31.9732  -22.0551
            38  N1a N    31.9647  -23.4096
            39  C1b C    29.7187  -15.1509
            40  C1b C    30.8881  -15.8246
            41  N1a N    32.0675  -15.2146
            42  C1c C    29.6798  -19.2476
            43  C1c C    29.6660  -17.8314
            44  C5a C    28.4854  -19.8757
            45  N1b N    27.3471  -19.1575
            46  O5a O    28.5064  -21.2289
            47  C1b C    27.4033  -17.8112
            48  C1a C    30.8603  -17.2033
            49  O1a O    28.5276  -17.1131
            50  C1b C    26.2580  -17.0859
            51  C5a C    26.9884  -13.1260
            52  O5a O    26.3867  -11.9558
            53  C1c C    26.3061  -14.3609
            54  N1b N    25.1049  -13.6480
            55  C5a C    23.9409  -14.3252
            56  C1c C    22.7769  -13.6480
            57  O5a O    23.9409  -15.6727
            58  N1b N    21.6087  -14.3239
            59  C5a C    20.4422  -13.6451
            60  C1b C    22.7786  -12.3007
            61  C1b C    23.9467  -11.6319
            62  N1a N    23.9483  -10.2775
            63  O5a O    20.4439  -12.2978
            64  C1c C    19.2742  -14.3210
            65  N1b N    18.1006  -13.6423
            66  C1c C    19.2725  -16.0183
            67  O1a O    20.4390  -16.6971
            68  C1a C    18.0972  -16.6940
            69  C5a C    16.9326  -14.3181
            70  C1c C    15.7661  -13.6465
            71  O5a O    16.9309  -15.6654
            72  N1b N    14.5979  -14.3151
            73  C5a C    13.4314  -13.6436
            74  C1b C    12.2633  -14.3122
            75  C1b C    15.7678  -12.2921
            76  C1b C    16.9358  -11.6233
            77  N1a N    16.9375  -10.2689
            78  O5a O    13.4330  -12.2892
            79  C1b C    11.0897  -13.6406
            80  C1b C     9.9217  -14.3093
            81  C1b C     8.7552  -13.6377
            82  C1c C     7.5870  -14.3064
            83  C1b C     6.4205  -13.6348
            84  C1a C     7.5853  -15.6538
            85  R   R     5.2525  -14.3036
BOND        86
            1     2   5 1
            2    42  43 1 #Down
            3    22  23 1
            4    42  44 1
            5     6  13 1
            6    44  45 1
            7    23  24 1
            8    44  46 2
            9     3   4 2
            10   45  47 1
            11   23  25 1
            12   43  48 1
            13   43  49 1 #Down
            14   13  14 1
            15   18  26 1 #Down
            16   47  50 1
            17   53  50 1 #Down
            18    7   8 1
            19    5  51 1
            20   26  27 1
            21   51  52 2
            22   14  15 2
            23   51  53 1
            24    8   9 1
            25   53  54 1
            26    9  10 2
            27   54  55 1
            28    3   2 1
            29   55  56 1
            30    7  11 1
            31   55  57 2
            32   27  28 2
            33   56  58 1
            34   28  29 1
            35   58  59 1
            36   29  30 2
            37   56  60 1 #Up
            38   30  31 1
            39   60  61 1
            40   31  32 2
            41   61  62 1
            42   32  27 1
            43   59  63 2
            44   59  64 1
            45    6  33 1 #Up
            46   64  65 1
            47   11  12 2
            48   64  66 1 #Down
            49   33  34 1
            50   66  67 1 #Down
            51   18  19 1
            52   66  68 1
            53   34  35 1
            54   65  69 1
            55   19  20 2
            56   69  70 1
            57    8  36 1 #Up
            58   69  71 2
            59   19  21 1
            60   70  72 1
            61   36  37 1
            62   72  73 1
            63   17  18 1
            64   73  74 1
            65   37  38 1
            66   70  75 1 #Up
            67   17   3 1
            68   75  76 1
            69    1   9 1
            70   76  77 1
            71   21  16 1
            72   73  78 2
            73    2  39 1 #Down
            74   74  79 1
            75   14  16 1
            76   79  80 1
            77   39  40 1
            78   80  81 1
            79   11   6 1
            80   81  82 1
            81   40  41 1
            82   82  83 1
            83   16  22 1 #Up
            84   82  84 1
            85    1  42 1
            86   83  85 1

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