KEGG   COMPOUND: C16854Help
Entry
C16854                      Compound                               

Name
Maitotoxin
Formula
C164H256O68S2. 2Na
Exact mass
3423.5811
Mol weight
3425.8562
Structure
Mol fileKCF fileDB search
Brite
Natural toxins [BR:br08009]
 Marine biotoxins
  Ciguatera fish poisoning; CFP
   Cyclic polyethers
    C16854  Maitotoxin
BRITE hierarchy
Other DBs
CAS: 59392-53-9
PubChem: 135626061
LinkDB All DBs
KCF data Show

ATOM        236
            1   Z   Na   33.7294  -21.5712 #+
            2   C1y C    21.8127  -25.3330
            3   C1x C    23.1905  -25.0376
            4   C1y C    24.2784  -27.3297
            5   C1y C    21.1867  -26.6102
            6   O2x O    23.1708  -28.2113
            7   C1y C    21.7938  -27.8867
            8   C1c C    19.1439  -14.2065
            9   C1c C    17.8962  -14.7933
            10  C1b C    16.7644  -14.0065
            11  C1c C    15.5168  -14.5932
            12  C1c C    14.3850  -13.8063
            13  C1b C    13.1374  -14.3930
            14  C2b C    12.0055  -13.6062
            15  C2a C    10.7581  -14.1929
            16  O1a O    17.7808  -16.1669
            17  C1a C    15.4014  -15.9668
            18  C1a C    14.5004  -12.4328
            19  O1a O    19.2593  -12.8329
            20  O2x O    31.1464  -14.8700
            21  C1y C    32.5201  -14.9855
            22  C1y C    33.4008  -16.0280
            23  C1x C    33.2853  -17.4018
            24  C2x C    32.2428  -18.2826
            25  C2x C    30.8691  -18.1670
            26  C1y C    29.9882  -17.1246
            27  C1y C    30.1038  -15.7508
            28  C1y C    20.5561  -14.9479
            29  C1x C    20.4407  -16.3216
            30  C1x C    21.5506  -17.1068
            31  C1z C    22.8448  -16.5238
            32  C1y C    22.9602  -15.1501
            33  O2x O    21.7817  -14.3592
            34  O2x O    23.9547  -17.3089
            35  C1z C    25.1801  -16.7202
            36  C1y C    25.2957  -15.3464
            37  C1x C    24.1859  -14.5614
            38  C1x C    26.3588  -17.5111
            39  C1z C    27.5843  -16.9223
            40  C1y C    27.6998  -15.5486
            41  O2x O    26.5899  -14.7636
            42  O2x O    28.6942  -17.7075
            43  C1x C    28.9253  -14.9600
            44  O2x O    34.7348  -15.7944
            45  C1y C    35.1880  -14.5182
            46  C1z C    34.3073  -13.4757
            47  C1x C    32.9734  -13.7095
            48  C1x C    36.5963  -14.2216
            49  C1y C    37.0496  -12.9455
            50  C1z C    36.1689  -11.9029
            51  O2x O    34.8349  -12.1366
            52  C1x C    36.1354  -10.6551
            53  C1x C    37.3096   -9.8544
            54  C1z C    38.5858  -10.3076
            55  C1y C    39.0999  -11.5961
            56  O2x O    38.3778  -12.7803
            57  C1x C    40.4644  -11.7937
            58  C1z C    41.3176  -10.7110
            59  C1y C    40.8035   -9.4226
            60  O2x O    39.4391   -9.2249
            61  O2x O    42.6821  -10.9085
            62  C1z C    43.5353   -9.8258
            63  C1y C    43.0211   -8.5373
            64  C1x C    41.6568   -8.3399
            65  C1y C    58.8019  -20.7929
            66  C1y C    58.0110  -21.9716
            67  C1x C    58.1389  -19.6304
            68  C1z C    56.7650  -19.5149
            69  C1y C    56.0428  -20.6992
            70  O2x O    56.6315  -21.9248
            71  O2x O    56.1077  -18.2836
            72  C1y C    54.7281  -18.2367
            73  C1z C    54.0059  -19.4212
            74  C1y C    54.6633  -20.6524
            75  C1x C    54.1395  -17.0113
            76  C1z C    52.7599  -16.9645
            77  C1y C    52.0378  -18.1488
            78  O2x O    52.6264  -19.3744
            79  C1y C    61.0131  -24.2822
            80  C1y C    60.2967  -25.3980
            81  O2x O    60.8853  -26.6234
            82  C1y C    62.2591  -26.7389
            83  C1y C    63.0500  -25.5604
            84  C1y C    62.3926  -24.3291
            85  O2x O    60.3558  -23.0510
            86  C1y C    58.9761  -23.0042
            87  C1y C    58.2598  -24.1200
            88  C1x C    58.9171  -25.3511
            89  O1a O    64.4295  -25.6072
            90  C1z C    49.7954  -16.0234
            91  C1y C    50.9695  -15.2229
            92  O2x O    52.2457  -15.6761
            93  C1x C    49.6799  -17.3972
            94  C1x C    50.7096  -18.3138
            95  C1x C    50.8664  -13.8482
            96  C1z C    49.6243  -13.2499
            97  C1y C    48.4504  -14.0504
            98  O2x O    48.5533  -15.4252
            99  C1x C    49.5213  -11.8751
            100 C1y C    48.2792  -11.2769
            101 C1y C    47.1052  -12.0776
            102 O2x O    47.2083  -13.4525
            103 O2x O    48.1763   -9.9023
            104 C1x C    46.9341   -9.3044
            105 C1y C    45.7600  -10.1048
            106 C1x C    45.8631  -11.4796
            107 C1a C    22.7292  -17.8976
            108 C1a C    25.0646  -18.2352
            109 C1a C    27.4687  -18.2961
            110 O1a O    63.1796  -23.1971
            111 O1a O    57.4729  -25.2518
            112 C1a C    41.9045  -11.9585
            113 C1a C    44.1223  -11.0732
            114 C1a C    33.4176  -12.4227
            115 C1a C    35.2792  -10.8498
            116 C1a C    38.3419   -8.9508
            117 O1a O    43.4882   -7.2404
            118 C1a C    50.8719  -12.6631
            119 C1a C    53.5469  -15.8326
            120 C1a C    57.5520  -18.3829
            121 O1a O    59.5889  -19.6610
            122 C1a C    53.2191  -20.5531
            123 C1a C    48.7423  -16.9130
            124 C1z C    24.2860  -25.8448
            125 C1x C    25.4579  -27.9128
            126 C1y C    26.6985  -27.2235
            127 C1y C    26.6985  -25.8448
            128 O2x O    25.4579  -25.1555
            129 O2x O    27.8704  -27.9128
            130 C1y C    29.0421  -27.2235
            131 C1z C    29.0421  -25.8448
            132 C1x C    27.8704  -25.1555
            133 C1y C    30.2829  -27.9128
            134 C1y C    31.4548  -27.2235
            135 C1y C    31.4548  -25.8448
            136 O2x O    30.2829  -25.1555
            137 O2x O    32.6266  -27.9128
            138 C1y C    33.8674  -27.2235
            139 C1y C    33.8674  -25.8448
            140 C1x C    32.6266  -25.1555
            141 C1c C    35.0391  -27.9128
            142 C1c C    36.2109  -27.2235
            143 C1b C    37.4517  -27.9128
            144 C1y C    38.6235  -27.2235
            145 C1y C    38.6235  -25.8448
            146 O2x O    39.7953  -27.9128
            147 C1y C    40.9671  -27.2235
            148 C1y C    40.9671  -25.8448
            149 C1y C    39.7953  -25.1555
            150 O2a O    37.6585  -24.4662
            151 O1a O    35.0391  -25.1555
            152 O1a O    36.2109  -26.0568
            153 S4a S    36.6245  -23.0186
            154 O1d O    37.6585  -22.0536
            155 O1d O    35.5905  -23.9836
            156 O1d O    35.6594  -22.0536 #-
            157 C1x C    42.2078  -27.9128
            158 C1y C    43.3798  -27.2235
            159 C1y C    43.3798  -25.8448
            160 O2x O    42.2078  -25.1555
            161 O2x O    44.5515  -27.9128
            162 C1y C    45.7922  -27.2235
            163 C1y C    45.7922  -25.8448
            164 C1x C    44.5515  -25.1555
            165 C1y C    46.9641  -27.9128
            166 C1y C    48.1359  -27.2235
            167 C1y C    48.1359  -25.8448
            168 O2x O    46.9641  -25.1555
            169 O2x O    49.3767  -27.9128
            170 C1y C    50.5485  -27.2235
            171 C1y C    50.5485  -25.8448
            172 C1y C    49.3767  -25.1555
            173 C1y C    51.9959  -27.2235
            174 C1y C    51.9959  -28.6020
            175 C1y C    53.1678  -29.2914
            176 C1y C    54.4086  -28.6020
            177 C1y C    54.4086  -27.2235
            178 O2x O    53.1678  -26.5342
            179 O2x O    55.5804  -29.2914
            180 C1y C    56.7522  -28.6020
            181 C1y C    56.7522  -27.2235
            182 C1x C    55.5804  -26.5342
            183 C1c C    57.9241  -29.2914
            184 C1b C    59.1648  -28.6020
            185 C1c C    60.3365  -29.2914
            186 C1b C    61.6497  -28.5141
            187 O1a O    57.9241  -30.6700
            188 O1a O    57.7827  -26.3222
            189 O1a O    30.2829  -29.4327
            190 O1a O    35.0391  -29.2914
            191 C1a C    29.0421  -23.9716
            192 O1a O    51.5232  -24.8700
            193 O1a O    46.9641  -29.5032
            194 O1a O    39.7953  -23.6370
            195 O1a O    49.3767  -23.7770
            196 O1a O    53.1678  -30.6700
            197 O1a O    60.2676  -30.6700
            198 C1a C    24.2860  -24.0784
            199 O2x O    19.7780  -26.4977
            200 C1y C    18.9762  -27.6613
            201 C1y C    19.5833  -28.9378
            202 C1y C    20.9920  -29.0504
            203 C1c C    17.7214  -26.9550
            204 C1b C    16.4975  -27.6615
            205 C1c C    15.2737  -26.9550
            206 C1c C    14.0499  -27.6615
            207 C1b C    12.8260  -26.9550
            208 C1c C    11.6021  -27.6615
            209 C1c C    10.3783  -26.9550
            210 C1c C     9.1545  -27.6615
            211 C1b C     7.9306  -26.9550
            212 C1c C     6.7067  -27.6615
            213 C2c C     5.4830  -26.9550
            214 C2c C     4.2342  -27.6762
            215 C1a C     3.0144  -26.9725
            216 C1a C    17.7136  -25.1181
            217 C1a C    15.2737  -25.5418
            218 O1a O    10.3783  -25.5419
            219 O1a O     6.7067  -29.0746
            220 C2a C     5.4828  -25.5422
            221 C2b C     4.2347  -29.0746
            222 C1b C     3.0108  -29.7813
            223 O1a O     3.0108  -31.1944
            224 C1a C     9.1545  -29.0744
            225 O2a O    11.6021  -29.0747
            226 O1a O    14.0499  -29.0746
            227 O1a O    20.9527  -24.2318
            228 O1a O    18.7829  -30.0996
            229 O1a O    21.6089  -30.3473
            230 O1a O    53.9201  -21.8459
            231 S4a S    11.5934  -30.4376
            232 O1d O    11.5934  -31.8508 #-
            233 O1d O    13.0067  -30.4376
            234 O1d O    10.1803  -30.4376
            235 O1a O    51.2959  -29.8145
            236 Z   Na   14.3525  -33.9502 #+
BOND        265
            1     2   5 1
            2     5   7 1
            3     2   3 1
            4     6   7 1
            5     8   9 1
            6     9  10 1
            7    10  11 1
            8    11  12 1
            9    12  13 1
            10   13  14 1
            11   14  15 2
            12    9  16 1 #Down
            13   11  17 1 #Up
            14   12  18 1 #Down
            15    8  19 1 #Down
            16   20  21 1
            17   21  22 1
            18   22  23 1
            19   23  24 1
            20   24  25 2
            21   25  26 1
            22   26  27 1
            23   27  20 1
            24   28  29 1
            25   29  30 1
            26   30  31 1
            27   31  32 1
            28   32  33 1
            29   28  33 1
            30   31  34 1
            31   34  35 1
            32   35  36 1
            33   36  37 1
            34   32  37 1
            35   35  38 1
            36   38  39 1
            37   39  40 1
            38   40  41 1
            39   36  41 1
            40   39  42 1
            41   42  26 1
            42   27  43 1
            43   40  43 1
            44   22  44 1
            45   44  45 1
            46   45  46 1
            47   46  47 1
            48   21  47 1
            49   45  48 1
            50   48  49 1
            51   49  50 1
            52   50  51 1
            53   46  51 1
            54   54  55 1
            55   52  50 1
            56   55  56 1
            57   53  54 1
            58   52  53 1
            59   56  49 1
            60   55  57 1
            61   57  58 1
            62   58  59 1
            63   59  60 1
            64   54  60 1
            65   58  61 1
            66   61  62 1
            67   62  63 1
            68   63  64 1
            69   59  64 1
            70   65  66 1
            71   65  67 1
            72   67  68 1
            73   68  69 1
            74   69  70 1
            75   66  70 1
            76   68  71 1
            77   71  72 1
            78   72  73 1
            79   73  74 1
            80   69  74 1
            81   72  75 1
            82   75  76 1
            83   76  77 1
            84   77  78 1
            85   73  78 1
            86   79  80 1
            87   80  81 1
            88   81  82 1
            89   82  83 1
            90   83  84 1
            91   79  84 1
            92   79  85 1
            93   85  86 1
            94   86  87 1
            95   87  88 1
            96   80  88 1
            97   86  66 1
            98   83  89 1 #Up
            99   92  76 1
            100  90  93 1
            101  91  92 1
            102  93  94 1
            103  90  91 1
            104  77  94 1
            105  91  95 1
            106  95  96 1
            107  96  97 1
            108  97  98 1
            109  90  98 1
            110  96  99 1
            111  99 100 1
            112 100 101 1
            113 101 102 1
            114  97 102 1
            115 100 103 1
            116 103 104 1
            117 104 105 1
            118 105 106 1
            119 101 106 1
            120  62 105 1
            121  31 107 1 #Up
            122  35 108 1 #Up
            123  39 109 1 #Up
            124   8  28 1
            125  84 110 1 #Down
            126  87 111 1 #Up
            127  58 112 1 #Up
            128  62 113 1 #Up
            129  46 114 1 #Down
            130  50 115 1 #Down
            131  54 116 1 #Down
            132  63 117 1 #Up
            133  96 118 1 #Down
            134  76 119 1 #Down
            135  68 120 1 #Down
            136  65 121 1 #Up
            137  73 122 1 #Up
            138  90 123 1 #Up
            139 125 126 1
            140 126 127 1
            141 127 128 1
            142 124 128 1
            143 126 129 1
            144 129 130 1
            145 130 131 1
            146 131 132 1
            147 127 132 1
            148 130 133 1
            149 133 134 1
            150 134 135 1
            151 135 136 1
            152 131 136 1
            153 134 137 1
            154 137 138 1
            155 138 139 1
            156 139 140 1
            157 135 140 1
            158 138 141 1
            159 141 142 1
            160 142 143 1
            161 143 144 1
            162 144 145 1
            163 144 146 1
            164 146 147 1
            165 147 148 1
            166 148 149 1
            167 145 149 1
            168 145 150 1 #Down
            169 139 151 1 #Up
            170 142 152 1 #Up
            171 150 153 1
            172 153 154 2
            173 153 155 2
            174 153 156 1
            175 147 157 1
            176 157 158 1
            177 158 159 1
            178 159 160 1
            179 148 160 1
            180 158 161 1
            181 161 162 1
            182 162 163 1
            183 163 164 1
            184 159 164 1
            185 162 165 1
            186 165 166 1
            187 166 167 1
            188 167 168 1
            189 163 168 1
            190 166 169 1
            191 169 170 1
            192 170 171 1
            193 171 172 1
            194 167 172 1
            195 173 174 1
            196 174 175 1
            197 175 176 1
            198 176 177 1
            199 177 178 1
            200 173 178 1
            201 170 173 1
            202 176 179 1
            203 179 180 1
            204 180 181 1
            205 181 182 1
            206 177 182 1
            207 180 183 1
            208 183 184 1
            209 184 185 1
            210 185 186 1
            211 183 187 1 #Up
            212 181 188 1 #Up
            213 133 189 1 #Down
            214 141 190 1 #Up
            215 131 191 1 #Up
            216 171 192 1 #Up
            217 165 193 1 #Down
            218 149 194 1 #Down
            219 172 195 1 #Down
            220 175 196 1 #Down
            221 185 197 1 #Down
            222  82 186 1
            223   3 124 1
            224 124   4 1
            225   4 125 1
            226   4   6 1
            227 124 198 1 #Up
            228   5 199 1
            229 199 200 1
            230 200 201 1
            231 201 202 1
            232   7 202 1
            233 200 203 1
            234 203 204 1
            235 204 205 1
            236 205 206 1
            237 206 207 1
            238 207 208 1
            239 208 209 1
            240 209 210 1
            241 210 211 1
            242 211 212 1
            243 212 213 1
            244 213 214 1
            245 214 215 1
            246 203 216 1 #Up
            247 205 217 1 #Up
            248 209 218 1 #Up
            249 212 219 1 #Up
            250 213 220 2
            251 214 221 2
            252 221 222 1
            253 222 223 1
            254 210 224 1 #Down
            255 208 225 1 #Down
            256 206 226 1 #Down
            257   2 227 1 #Down
            258 201 228 1 #Up
            259 202 229 1 #Up
            260  74 230 1 #Down
            261 231 232 1
            262 231 233 2
            263 231 234 2
            264 225 231 1
            265 174 235 1 #Up

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