KEGG   COMPOUND: C16883
Entry
C16883                      Compound                               

Name
Jasplakinolide;
Jaspamide
Formula
C36H45BrN4O6
Exact mass
708.2522
Mol weight
709.6697
Structure
Other DBs
CAS: 102396-24-7
PubChem: 135626072
ChEBI: 66104
ChEMBL: CHEMBL257166 CHEMBL359935
KNApSAcK: C00026975
PDB-CCD: 9UE[PDBj]
LinkDB
KCF data

ATOM        47
            1   N1x N    26.8310  -14.8140
            2   C5x C    26.8310  -16.2107
            3   C1x C    29.2502  -14.8140
            4   C1y C    28.0406  -14.1157
            5   C1y C    31.6693  -16.2107
            6   O7x O    31.6693  -14.8140
            7   C7x C    30.4597  -14.1157
            8   C2x C    31.6693  -19.0041
            9   C1y C    32.8789  -18.3058
            10  C1x C    32.8789  -16.9091
            11  C1x C    30.4597  -21.0991
            12  C2y C    31.6693  -20.4008
            13  C1y C    25.6215  -16.9091
            14  N1y N    25.6215  -18.3058
            15  C5x C    26.8310  -19.0041
            16  C1y C    26.8310  -20.4008
            17  N1x N    28.0406  -21.0991
            18  C5x C    28.4020  -22.4482
            19  C1y C    30.2380  -22.4482
            20  C8y C    28.0406  -12.7192
            21  C8x C    29.2333  -12.0303
            22  C8x C    29.2331  -10.6336
            23  C8y C    28.0235   -9.9354
            24  C8x C    26.8307  -10.6243
            25  C8x C    26.8308  -12.0209
            26  O1a O    28.0233   -8.5289
            27  O6a O    30.4597  -12.7190
            28  C1a C    30.4451  -16.9176
            29  C1a C    34.1091  -19.0163
            30  C1a C    32.8640  -21.0907
            31  C1a C    31.1371  -23.5071
            32  O5x O    27.5501  -23.5586
            33  C1a C    25.6215  -21.0991
            34  O5x O    28.0406  -18.3058
            35  O5x O    28.0406  -16.9091
            36  C1b C    24.4288  -16.2203
            37  C8y C    23.2442  -16.9042
            38  C8y C    21.9913  -16.3461
            39  C8y C    21.0734  -17.3654
            40  N4x N    21.7590  -18.5534
            41  C8y C    23.1008  -18.2682
            42  C8x C    21.5597  -15.0177
            43  C8x C    20.1937  -14.7272
            44  C8x C    19.2757  -15.7465
            45  C8x C    19.7072  -17.0749
            46  X   Br   24.2079  -18.7834
            47  C1a C    25.6215  -19.8421
BOND        50
            1     1   2 1
            2     3   4 1
            3     1   4 1
            4     5   6 1
            5     6   7 1
            6     3   7 1
            7     8   9 1
            8     9  10 1
            9     5  10 1
            10   11  12 1
            11    8  12 2
            12    2  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   11  19 1
            19   18  19 1
            20    4  20 1 #Up
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   20  25 1
            27   23  26 1
            28    7  27 2
            29    5  28 1 #Down
            30    9  29 1 #Up
            31   12  30 1
            32   19  31 1 #Down
            33   18  32 2
            34   16  33 1 #Up
            35   15  34 2
            36    2  35 2
            37   13  36 1 #Down
            38   36  37 1
            39   37  38 1
            40   38  39 1
            41   39  40 1
            42   40  41 1
            43   37  41 2
            44   38  42 2
            45   42  43 1
            46   43  44 2
            47   44  45 1
            48   39  45 2
            49   41  46 1
            50   14  47 1

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