KEGG   COMPOUND: C11692Help
Entry
C11692                      Compound                               

Name
Tetrodotoxin;
TTX
Formula
C11H17N3O8
Exact mass
319.1016
Mol weight
319.268
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Compounds with biological roles [BR:br08001]
 Marine nature products
  Alkaloids
   C11692  Tetrodotoxin
Natural toxins [BR:br08009]
 Marine biotoxins
  Others
   Tetrodotoxins
    C11692  Tetrodotoxin
Target-based classification of compounds [BR:br08010]
 Ion channels
  Voltage-gated cation channels
   Na+ channel, SCN alpha, NaV1.x
    tetrodotoxin-sensitive voltage-gated sodium channel
     C11692  Tetrodotoxin  Blocker
BRITE hierarchy
Other DBs
CAS: 
4368-28-9
PubChem: 
ChEBI: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1y C    26.3250  -19.9004
            2   C1y C    28.3010  -21.2483
            3   C1z C    29.0636  -20.0393
            4   C1y C    29.7221  -20.9925
            5   N1x N    30.3267  -20.5059
            6   N1x N    31.0552  -21.3872
            7   C2y C    31.6446  -20.1772
            8   C1z C    25.6953  -21.1094
            9   C1y C    27.1163  -20.7135
            10  C1y C    27.7210  -20.3670
            11  O2x O    27.1117  -19.2111
            12  C1z C    27.7306  -18.0457
            13  O2x O    26.3102  -18.4947
            14  C1y C    29.0487  -18.5929
            15  O1a O    27.7218  -16.5794 #-
            16  C1b C    24.4356  -20.3745
            17  O1a O    23.1775  -21.1025
            18  O1a O    25.1598  -22.4673
            19  O1a O    29.3403  -22.2545
            20  N2a N    32.8173  -19.4983 #+
            21  O1a O    30.2577  -17.7740
            22  O1a O    27.9346  -19.3427
BOND        25
            1     1   8 1
            2     8   9 1
            3     1  10 1
            4     9   2 1
            5    10   3 1
            6    11  12 1
            7     9  11 1
            8     1  13 1
            9     3  14 1
            10   14  12 1
            11   12  13 1
            12    6   7 1
            13   12  15 1
            14    8  16 1
            15   16  17 1
            16    2   3 1
            17    8  18 1
            18    2   4 1
            19    4  19 1
            20    3   5 1
            21    7  20 2
            22    4   6 1
            23   14  21 1 #Up
            24    5   7 1
            25   10  22 1

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