KEGG   COMPOUND: C16905
Entry
C16905                      Compound                               
Name
Dolastatin 11
Formula
C50H80N8O12
Exact mass
984.5896
Mol weight
985.2166
Structure
Other DBs
CAS: 111517-68-1
PubChem: 135626078
KCF data

ATOM        70
            1   C1c C    21.4730  -11.5130
            2   N1b N    21.4730  -12.9173
            3   C1d C    23.9055  -11.5130
            4   C5a C    22.6891  -10.8107
            5   C5a C    25.1468  -10.8107
            6   N1b N    26.3632  -11.5130
            7   C1c C    27.5794  -10.8107
            8   C5a C    28.7956  -11.5130
            9   N1b N    30.0119  -10.8107
            10  C1c C    31.2281  -11.5130
            11  C1c C    32.4444  -10.8107
            12  C7a C    33.6477  -11.5057
            13  C1a C    23.2033  -12.7292
            14  C1a C    24.6077  -12.7292
            15  C5a C    20.2569  -13.6195
            16  C1c C    20.2569  -15.0239
            17  N1c N    21.4730  -15.7262
            18  C5a C    21.4730  -17.1305
            19  C1c C    22.6891  -17.8327
            20  N1c N    23.9055  -17.1305
            21  C1b C    19.0575  -15.7165
            22  C8y C    17.8664  -15.0288
            23  C8x C    17.8663  -13.6197
            24  C8x C    16.6501  -12.9176
            25  C8y C    15.4338  -13.6199
            26  C8x C    15.4340  -15.0290
            27  C8x C    16.6504  -15.7312
            28  O2a O    14.2175  -12.9179
            29  C1a C    13.0189  -13.6103
            30  O5a O    19.0575  -12.9270
            31  O5a O    22.6891   -9.4065
            32  O5a O    25.1531   -9.4066
            33  O5a O    28.7956  -12.6364
            34  C1a C    27.5794   -9.4063
            35  C1b C    31.2281  -12.9173
            36  O6a O    34.8408  -10.8167
            37  O7a O    33.6478  -12.9170
            38  N1b N    33.6281  -15.7376
            39  C5a C    34.8645  -15.0235
            40  C1c C    34.8643  -13.6191
            41  C1a C    31.1957  -15.7379
            42  N1c N    31.1959  -17.1423
            43  C5a C    32.4123  -17.8443
            44  C1b C    33.6283  -17.1420
            45  C5a C    25.1468  -17.8327
            46  C1b C    26.3632  -17.1305
            47  N1b N    27.5794  -17.8327
            48  C5a C    28.7956  -17.1305
            49  C1c C    30.0119  -17.8327
            50  O5a O    36.0963  -15.7346
            51  O5a O    32.4126  -19.2371
            52  O5a O    28.7956  -15.7263
            53  O5a O    25.1531  -19.2369
            54  O5a O    20.2569  -17.8327
            55  C1a C    22.4788  -14.6032
            56  C1c C    22.6891  -19.2370
            57  C1a C    21.4561  -19.9491
            58  C1a C    23.8885  -19.9295
            59  C1b C    30.0119  -19.2369
            60  C1c C    28.8165  -19.9271
            61  C1a C    27.6277  -19.2408
            62  C1a C    28.8163  -21.3433
            63  C1c C    36.0805  -12.9169
            64  C1a C    37.2955  -13.6184
            65  C1b C    36.0805  -11.5130
            66  C1a C    37.2954  -10.8115
            67  C1a C    23.8992  -15.7092
            68  C1a C    20.2685  -10.8175
            69  C1a C    30.0252  -13.6120
            70  C1a C    32.4452   -9.3804
BOND        71
            1     1   2 1
            2     3   4 1
            3     1   4 1
            4     3   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    3  13 1
            13    3  14 1
            14    2  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   16  21 1 #Up
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   22  27 1
            28   25  28 1
            29   28  29 1
            30   15  30 2
            31    4  31 2
            32    5  32 2
            33    8  33 2
            34    7  34 1 #Up
            35   10  35 1 #Up
            36   12  36 2
            37   12  37 1
            38   38  39 1
            39   39  40 1
            40   37  40 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   38  44 1
            45   20  45 1
            46   45  46 1
            47   46  47 1
            48   47  48 1
            49   48  49 1
            50   39  50 2
            51   43  51 2
            52   48  52 2
            53   45  53 2
            54   18  54 2
            55   17  55 1
            56   19  56 1 #Up
            57   56  57 1
            58   56  58 1
            59   49  59 1 #Up
            60   59  60 1
            61   60  61 1
            62   60  62 1
            63   40  63 1
            64   63  64 1 #Down
            65   63  65 1
            66   65  66 1
            67   49  42 1
            68   20  67 1
            69    1  68 1 #Up
            70   35  69 1
            71   11  70 1 #Down

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