KEGG   COMPOUND: C16856Help
Entry
C16856                      Compound                               

Name
Gonyautoxin 2
Formula
C10H17N7O8S
Exact mass
395.0859
Mol weight
395.3491
Structure
Mol fileKCF fileDB search
Brite
Natural toxins [BR:br08009]
 Marine biotoxins
  Paralytic shellfish poisoning; PSP
   Carbamate derivatives
    C16856  Gonyautoxin 2
BRITE hierarchy
Other DBs
CAS: 60508-89-6
PubChem: 96023377
ChEBI: 80769
NIKKAJI: J55.607F
KCF data Show

ATOM        26
            1   N1x N    24.2900  -14.7700
            2   C2y C    24.2900  -16.1700
            3   N1y N    25.4800  -16.8000
            4   C1z C    26.7400  -16.1700
            5   C1y C    26.7400  -14.7700
            6   C1y C    25.4800  -14.0700
            7   N1x N    28.2100  -16.4500
            8   C2y C    28.8400  -15.4700
            9   N1x N    28.0700  -14.3500
            10  C1x C    25.8300  -18.1300
            11  C1y C    27.1600  -18.2700
            12  C1z C    27.7200  -17.0100
            13  C1b C    25.4800  -12.6700
            14  N2a N    30.2400  -15.4700
            15  N2a N    23.1000  -16.8000
            16  O1a O    29.2600  -17.4300
            17  O1a O    28.8400  -18.3400
            18  O7a O    24.2900  -11.9700
            19  C7a C    24.2900  -10.5700
            20  N1a N    23.1000   -9.8700
            21  O6a O    25.4800   -9.8700
            22  O2a O    27.8600  -19.5300
            23  S4a S    27.8600  -20.8600
            24  O1d O    27.8600  -22.2600
            25  O1d O    29.2600  -20.8600
            26  O1d O    26.4600  -20.8600
BOND        28
            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   11  22 1 #Down
            25   22  23 1
            26   23  24 1
            27   23  25 2
            28   23  26 2

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