KEGG   COMPOUND: C13931Help
Entry
C13931                      Compound                               

Name
JSTX-3;
Joro spider toxin
Formula
C27H47N7O6
Exact mass
565.3588
Mol weight
565.7054
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 112163-33-4
PubChem: 854175
ChEBI: 34802
ChEMBL: CHEMBL313747
KNApSAcK: C00025922
NIKKAJI: J366.795B
LinkDB All DBs
KCF data Show

ATOM        40
            1   C1b C    15.9323  -18.1137
            2   C5a C    17.1466  -18.8143
            3   N1b N    18.3608  -18.1137
            4   C1c C    19.5752  -18.8143
            5   C5a C    20.7895  -18.1137
            6   N1b N    22.0038  -18.8143
            7   C1b C    23.2181  -18.1137
            8   C1b C    24.4324  -18.8143
            9   C1b C    25.6467  -18.1137
            10  C1b C    26.8611  -18.8143
            11  C1b C    28.0753  -18.1137
            12  N1b N    29.2896  -18.8143
            13  C5a C    30.5039  -18.1137
            14  C1b C    31.6714  -18.8143
            15  C1b C    32.8858  -18.1137
            16  N1b N    34.1001  -18.8143
            17  C1b C    35.3144  -18.1137
            18  C1b C    36.5287  -18.8143
            19  C1b C    37.7430  -18.1137
            20  O5a O    17.1466  -20.2154
            21  C1b C    19.5752  -20.2154
            22  C5a C    20.7895  -20.9160
            23  N1a N    22.0038  -20.2154
            24  O5a O    20.7895  -22.3171
            25  O5a O    20.7895  -16.7126
            26  C1b C    39.0040  -18.8143
            27  N1b N    40.2183  -18.1137
            28  C1b C    41.4327  -18.8143
            29  C1b C    42.6469  -18.1137
            30  C1b C    43.8612  -18.8143
            31  N1a N    45.0287  -18.1137
            32  C8y C    14.7275  -18.8099
            33  C8y C    13.5212  -18.1141
            34  C8x C    12.3075  -18.8155
            35  C8y C    12.3081  -20.2173
            36  C8x C    13.5144  -20.9131
            37  C8x C    14.7281  -20.2117
            38  O1a O    13.5206  -16.7173
            39  O1a O    11.0883  -20.9221
            40  O5a O    30.5160  -16.7173
BOND        40
            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 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19    2  20 2
            20    4  21 1 #Down
            21   21  22 1
            22   22  23 1
            23   22  24 2
            24    5  25 2
            25   19  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31    1  32 1
            32   32  33 2
            33   33  34 1
            34   34  35 2
            35   35  36 1
            36   36  37 2
            37   32  37 1
            38   33  38 1
            39   35  39 1
            40   13  40 2

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