KEGG   COMPOUND: C20018
Entry
C20018                      Compound                               
Name
Gonyautoxin 5;
Gonyautoxin V;
GTX5;
Toxin B1
Formula
C10H17N7O7S
Exact mass
379.091
Mol weight
379.3497
Structure
Brite
Natural toxins [BR:br08009]
 Marine biotoxins
  Paralytic shellfish poisoning; PSP
   N-Sulfo-carbamoyl derivatives
    C20018  Gonyautoxin 5
Other DBs
CAS: 64296-25-9
PubChem: 135626484
ChEBI: 138870
KCF data

ATOM        25
            1   N1x N    27.3700  -18.6900
            2   C2y C    27.3700  -20.0900
            3   N1y N    28.5600  -20.7900
            4   C1z C    29.8200  -20.0900
            5   C1y C    29.8200  -18.6900
            6   C1y C    28.5600  -17.9900
            7   N1x N    31.2900  -20.3700
            8   C2y C    31.9200  -19.3900
            9   N1x N    31.1500  -18.2700
            10  C1x C    28.9100  -22.1200
            11  C1x C    30.3100  -22.1200
            12  C1z C    30.8000  -21.0000
            13  C1b C    28.5600  -16.5900
            14  N2a N    33.3200  -19.3900
            15  N2a N    26.1800  -20.7900
            16  O1a O    32.3400  -21.4200
            17  O1a O    31.9200  -22.3300
            18  O7a O    27.3700  -15.8900
            19  C7a C    27.3700  -14.4900
            20  N1b N    26.1800  -13.7900
            21  O6a O    28.5600  -13.7900
            22  S4a S    24.9619  -14.4801
            23  O1d O    23.7495  -15.1801
            24  O1d O    24.2784  -13.2844
            25  O1d O    25.6678  -15.7150
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    3  10 1
            12   10  11 1
            13   11  12 1
            14    4  12 1 #Up
            15    6  13 1 #Up
            16    8  14 2
            17    2  15 2
            18   12  16 1
            19   12  17 1
            20   13  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 2
            24   20  22 1
            25   22  23 1
            26   22  24 2
            27   22  25 2

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