KEGG   COMPOUND: C20021Help
Entry
C20021                      Compound                               

Name
Decarbamoylsaxitoxin
Formula
C9H16N6O3
Exact mass
256.1284
Mol weight
256.2617
Structure
Mol fileKCF fileDB search
Brite
Natural toxins [BR:br08009]
 Marine biotoxins
  Paralytic shellfish poisoning; PSP
   Decarbamoyl derivatives
    C20021  Decarbamoylsaxitoxin
BRITE hierarchy
Other DBs
CAS: 58911-04-9
PubChem: 135626487
LinkDB All DBs
KCF data Show

ATOM        18
            1   N1x N    28.5600  -19.2500
            2   C2y C    28.5600  -20.6500
            3   N1y N    29.7500  -21.3500
            4   C1z C    31.0100  -20.6500
            5   C1y C    31.0100  -19.2500
            6   C1y C    29.7500  -18.5500
            7   N1x N    32.4800  -20.9300
            8   C2y C    33.1100  -19.9500
            9   N1x N    32.3400  -18.8300
            10  C1x C    30.1000  -22.6800
            11  C1x C    31.5000  -22.6800
            12  C1z C    31.9900  -21.5600
            13  C1b C    29.7500  -17.1500
            14  N2a N    34.5100  -19.9500
            15  N2a N    27.4400  -21.3500
            16  O1a O    33.5300  -21.8400
            17  O1a O    32.9000  -22.8200
            18  O1a O    28.5600  -16.4500
BOND        20
            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

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