KEGG   COMPOUND: C11280Help
Entry
C11280                      Compound                               

Name
Dolastatin 10
Formula
C42H68N6O6S
Exact mass
784.4921
Mol weight
785.0909
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
110417-88-4
PubChem: 
ChEBI: 
KNApSAcK: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        55
            1   C1c C    35.9809  -18.9153
            2   C1b C    35.9877  -20.3127
            3   C8y C    37.2074  -20.9986
            4   C8x C    38.4077  -20.2914
            5   C8x C    39.6274  -20.9773
            6   C8x C    39.6396  -22.3776
            7   C8x C    38.4322  -23.0917
            8   C8x C    37.2196  -22.3987
            9   C5a C    33.5563  -18.9342
            10  O5a O    33.5594  -20.3343
            11  N1b N    34.7615  -18.2219
            12  C5a C    18.8442  -20.9900
            13  C1c C    18.8442  -22.3903
            14  C1c C    20.0605  -23.0938
            15  C1a C    21.2699  -22.3903
            16  N1b N    20.0605  -20.2934
            17  C1c C    20.0684  -18.8967
            18  C5a C    21.2785  -18.1826
            19  O5a O    21.2716  -16.7824
            20  N1c N    22.4888  -18.8792
            21  C1c C    23.6989  -18.1755
            22  C1c C    23.7620  -16.7753
            23  C1a C    22.5448  -16.0716
            24  C1b C    24.9723  -16.0647
            25  O5a O    17.6339  -20.2934
            26  N1c N    17.6339  -23.0867
            27  C1a C    17.6270  -24.4869
            28  C1a C    16.4167  -22.3832
            29  C1a C    20.1172  -24.4940
            30  C1c C    18.8512  -18.1897
            31  C1a C    18.8442  -16.7894
            32  C1a C    17.6410  -18.8792
            33  C1a C    24.9652  -14.6646
            34  C1c C    24.9092  -18.8721
            35  O2a O    24.9023  -20.2722
            36  C1a C    26.1125  -21.1858
            37  C1b C    26.1194  -18.1686
            38  C5a C    27.3226  -18.8652
            39  O5a O    27.3157  -20.2652
            40  N1y N    28.5312  -18.1569
            41  C1y C    29.9429  -18.1365
            42  C1x C    30.3563  -16.7972
            43  C1x C    29.2073  -15.9910
            44  C1x C    28.0873  -16.8369
            45  C1c C    31.1353  -18.8647
            46  O2a O    31.1663  -20.2641
            47  C1c C    32.3623  -18.1980
            48  C1a C    22.4819  -20.2863
            49  C1a C    29.8639  -20.9338
            50  C1a C    32.3276  -16.7982
            51  C8y C    37.1885  -18.2017
            52  N5x N    38.4614  -18.7638
            53  C8x C    39.3932  -17.7197
            54  C8x C    38.6836  -16.5115
            55  S2x S    37.3158  -16.8173
BOND        57
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   7 1
            5    38  39 2
            6    14  15 1
            7    38  40 1
            8    13  26 1
            9    18  19 2
            10   26  27 1
            11   16  12 1
            12   40  41 1
            13   41  42 1
            14   42  43 1
            15   43  44 1
            16   44  40 1
            17   26  28 1
            18   41  45 1
            19   18  20 1
            20   45  46 1
            21   14  29 1
            22   45  47 1
            23   47   9 1
            24   17  30 1
            25   20  21 1
            26   30  31 1
            27   12  13 1
            28   30  32 1
            29   21  22 1
            30   24  33 1
            31   17  16 1
            32   21  34 1
            33   22  23 1
            34   34  35 1
            35   13  14 1
            36   35  36 1
            37   22  24 1
            38   34  37 1
            39   17  18 1
            40   37  38 1
            41   12  25 2
            42   20  48 1
            43    7   8 2
            44   46  49 1
            45    8   3 1
            46   47  50 1
            47   11   1 1
            48    1  51 1
            49   52  53 1
            50    1   2 1
            51    2   3 1
            52    9  10 2
            53    9  11 1
            54   51  52 2
            55   53  54 2
            56   54  55 1
            57   55  51 1

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