KEGG   COMPOUND: C11548Help
Entry
C11548                      Compound                               

Name
3-Hydroxyacyl group of bacterial toxin
Formula
C52H91N2O23P2R5
Structure
Mol fileKCF fileDB search
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 13715
KCF data Show

ATOM        84
            1   C1y C    20.8648  -15.5144
            2   C1y C    22.0697  -14.8218
            3   C1y C    19.6530  -14.8218
            4   O7a O    20.8648  -16.9196
            5   C1y C    22.0697  -13.4235
            6   N1b N    23.2746  -15.5144
            7   C1y C    19.6530  -13.4235
            8   O2b O    18.4295  -15.5144
            9   C7a C    19.6530  -17.6323
            10  O2x O    20.8648  -12.7109
            11  O2a O    23.2746  -12.7109
            12  C5a C    23.2746  -16.9196
            13  C1b C    18.4295  -12.7109
            14  P1b P    17.0312  -15.5086
            15  C1b C    19.6530  -19.0306
            16  O6a O    18.4424  -16.9196
            17  C1b C    24.4852  -12.0183
            18  C1b C    24.4852  -17.6323
            19  O5a O    22.0697  -17.6323
            20  O2a O    18.4295  -11.3128
            21  O1c O    17.0183  -14.1161
            22  O1c O    15.6260  -15.5086 #-
            23  O1c O    17.0183  -16.9139
            24  C1c C    18.4424  -19.7232
            25  C1y C    25.7030  -12.7238
            26  C1c C    24.4981  -19.0306
            27  C1b C    18.4424  -21.1284
            28  O1a O    17.2175  -19.0306
            29  C1y C    25.7030  -14.1161
            30  O2x O    26.9277  -12.0311
            31  C1b C    23.2875  -19.7232
            32  O1a O    25.7088  -19.7232
            33  C1b C    17.2175  -21.8341
            34  C1y C    26.9277  -14.8218
            35  O1a O    24.4852  -14.8218
            36  C1y C    28.1385  -12.7238
            37  C1b C    23.2875  -21.1155
            38  C1b C    17.2233  -23.2392
            39  C1y C    28.1385  -14.1161
            40  O7a O    26.9277  -16.2270
            41  O2b O    29.3504  -12.0311
            42  C1b C    22.0697  -21.8282
            43  C1b C    16.0126  -23.9319
            44  N1b N    29.3504  -14.8218
            45  C7a C    28.1514  -16.9196
            46  P1b P    29.3504  -10.6259
            47  C1b C    22.0697  -23.2392
            48  C5a C    30.5612  -14.1161
            49  C1b C    28.1514  -18.3249
            50  O6a O    29.3504  -16.2270
            51  O1c O    27.9451  -10.6200
            52  O1c O    29.3375   -9.2276 #-
            53  O1c O    30.7486  -10.6259
            54  C1b C    31.7730  -14.8218
            55  O5a O    30.5552  -12.7109
            56  C1c C    29.3563  -19.0306
            57  C1c C    31.7789  -16.2270
            58  C1b C    29.3563  -20.4229
            59  O1a O    30.5612  -18.3249
            60  C1b C    32.9836  -16.9196
            61  O1a O    30.5612  -17.1296
            62  C1b C    30.5740  -21.1155
            63  C1b C    32.9779  -18.3437
            64  C1b C    30.5740  -22.5208
            65  C1b C    34.2143  -19.0680
            66  C1b C    31.7789  -23.2392
            67  C1b C    34.2143  -20.4921
            68  R   R    17.2183  -10.6207
            69  C1b C    16.0099  -25.3234
            70  C1b C    14.8045  -26.0203
            71  C1b C    14.8018  -27.4116
            72  C1b C    20.8657  -23.9314
            73  C1b C    20.8657  -25.3228
            74  C1b C    19.6617  -26.0220
            75  C1b C    31.7628  -24.6305
            76  C1b C    32.9587  -25.3365
            77  C1b C    32.9426  -26.7278
            78  C1b C    35.4183  -21.1844
            79  C1b C    35.4183  -22.5757
            80  C1b C    36.6295  -23.2749
            81  R   R    13.5964  -28.1014
            82  R   R    19.6617  -27.4133
            83  R   R    34.1385  -27.4410
            84  R   R    36.6295  -24.6663
BOND        85
            1    12  18 1
            2    12  19 2
            3    13  20 1
            4    14  21 1
            5    14  22 1
            6    14  23 2
            7    15  24 1
            8    25  17 1 #Up
            9    18  26 1
            10   24  27 1
            11   24  28 1
            12   25  29 1
            13   25  30 1
            14   26  31 1
            15   26  32 1
            16   27  33 1
            17   29  34 1
            18   29  35 1 #Down
            19   30  36 1
            20   31  37 1
            21   33  38 1
            22   34  39 1
            23   34  40 1 #Up
            24   36  41 1 #Down
            25   37  42 1
            26   38  43 1
            27   39  44 1 #Down
            28   40  45 1
            29   41  46 1
            30   42  47 1
            31   44  48 1
            32   45  49 1
            33   45  50 2
            34   46  51 1
            35   46  52 1
            36   46  53 2
            37   48  54 1
            38   48  55 2
            39   49  56 1
            40   54  57 1
            41   56  58 1
            42   56  59 1
            43   57  60 1
            44   57  61 1
            45   58  62 1
            46   60  63 1
            47   62  64 1
            48   63  65 1
            49   64  66 1
            50   65  67 1
            51    7  10 1
            52   36  39 1
            53   20  68 1
            54    1   2 1
            55   43  69 1
            56    1   3 1
            57   69  70 1
            58    1   4 1 #Up
            59   70  71 1
            60    2   5 1
            61   47  72 1
            62    2   6 1 #Down
            63   72  73 1
            64    3   7 1
            65   73  74 1
            66    3   8 1 #Down
            67   66  75 1
            68    4   9 1
            69   75  76 1
            70    5  10 1
            71   76  77 1
            72    5  11 1 #Up
            73   67  78 1
            74    6  12 1
            75   78  79 1
            76    7  13 1 #Up
            77   79  80 1
            78    8  14 1
            79   71  81 1
            80    9  15 1
            81   74  82 1
            82    9  16 2
            83   77  83 1
            84   11  17 1
            85   80  84 1

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