KEGG   COMPOUND: C19899
Entry
C19899                      Compound                               
Name
Dolastatin 15;
NSC 617668
Formula
C45H68N6O9
Exact mass
836.5048
Mol weight
837.06
Structure
Other DBs
CAS: 123884-00-4
PubChem: 135626365
LinkDB
KCF data

ATOM        60
            1   C1y C    29.2422  -19.5828
            2   C7a C    30.3895  -18.9204
            3   O7a O    31.5369  -19.5828
            4   C1c C    32.6841  -18.9204
            5   C5a C    33.8314  -19.5828
            6   N1y N    34.9788  -18.9204
            7   C1y C    36.0605  -19.6829
            8   C2y C    37.1223  -18.8904
            9   C2x C    36.6966  -17.6359
            10  C5x C    35.3719  -17.6529
            11  C1b C    36.0790  -21.0400
            12  C8y C    37.2245  -21.6808
            13  C8x C    37.2421  -23.0272
            14  C8x C    38.3979  -23.6744
            15  C8x C    39.5365  -22.9971
            16  C8x C    39.5188  -21.6507
            17  C8x C    38.3629  -21.0035
            18  O5x O    34.9261  -16.6780
            19  O2a O    38.3979  -19.2866
            20  C1a C    39.3474  -18.4094
            21  O5a O    33.8314  -20.9075
            22  C1c C    32.6841  -17.2645
            23  C1a C    33.8334  -16.6009
            24  C1a C    31.5388  -16.6032
            25  O6a O    30.3895  -17.5958
            26  N1y N    28.1675  -18.8082
            27  C1x C    27.0987  -19.5911
            28  C1x C    27.5129  -20.8494
            29  C1x C    28.8377  -20.8443
            30  C5a C    28.1622  -17.4634
            31  C1y C    26.4976  -16.6816
            32  O5a O    29.3219  -16.7874
            33  C1x C    26.0901  -15.4174
            34  C1x C    24.7556  -15.4157
            35  C1x C    24.3415  -16.6844
            36  N1y N    25.4201  -17.4703
            37  C5a C    25.4216  -18.7878
            38  C1c C    24.2569  -19.4569
            39  O5a O    26.5525  -19.4417
            40  C1c C    23.1213  -18.7979
            41  C1a C    21.9971  -19.4437
            42  C1a C    23.1241  -17.4634
            43  N1c N    24.2540  -21.7023
            44  C5a C    22.6569  -22.3537
            45  C1a C    25.4151  -22.3761
            46  C1c C    21.1391  -21.7037
            47  O5a O    22.6540  -23.6893
            48  C1c C    19.7426  -22.3540
            49  N1b N    21.2080  -18.5893
            50  C5a C    19.8116  -17.9330
            51  C1c C    18.6842  -18.5809
            52  O5a O    19.8141  -16.6023
            53  N1c N    17.5613  -17.9295
            54  C1a C    16.4311  -18.5792
            55  C1a C    17.5640  -16.6023
            56  C1a C    18.3569  -21.7039
            57  C1a C    19.7396  -23.6893
            58  C1c C    18.6813  -19.9137
            59  C1a C    17.5544  -20.5615
            60  C1a C    19.9151  -20.4588
BOND        63
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10    6  10 1
            11    7  11 1 #Down
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19   10  18 2
            20    8  19 1
            21   19  20 1
            22    5  21 2
            23    4  22 1 #Up
            24   22  23 1
            25   22  24 1
            26    2  25 2
            27    1  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31    1  29 1
            32   26  30 1
            33   31  30 1 #Up
            34   30  32 2
            35   31  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   31  36 1
            40   36  37 1
            41   37  38 1
            42   37  39 2
            43   38  40 1
            44   40  41 1
            45   40  42 1
            46   38  43 1 #Up
            47   43  44 1
            48   43  45 1
            49   44  46 1
            50   44  47 2
            51   46  48 1
            52   46  49 1 #Down
            53   49  50 1
            54   50  51 1
            55   50  52 2
            56   51  53 1
            57   53  54 1
            58   53  55 1
            59   48  56 1
            60   48  57 1
            61   51  58 1 #Down
            62   58  59 1
            63   58  60 1

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