KEGG   DRUG: Temefos
Entry
D06062                      Drug                                   
Name
Temefos (USAN/INN)
Formula
C16H20O6P2S3
Exact mass
465.9897
Mol weight
466.4689
Structure
Simcomp
Remark
Same as: C18809
Efficacy
Ectoparasiticide (veterinary), Acetylcholinesterase inhibitor
Comment
Organophosphorous, Phosphorothioate
Target
acetylcholinesterase (AChE) [KO:K01049]
  Pathway
ko04725  Cholinergic synapse
Other DBs
CAS: 3383-96-8
PubChem: 47207720
ChEBI: 38954
LigandBox: D06062
NIKKAJI: J4.517I
KCF data

ATOM        27
            1   C8x C    11.4100  -18.6200
            2   C8y C    11.4100  -20.0200
            3   C8x C    12.6224  -20.7200
            4   C8x C    13.8349  -20.0200
            5   C8y C    13.8349  -18.6200
            6   C8x C    12.6224  -17.9200
            7   S2a S    15.0660  -17.9090
            8   C8y C    16.2712  -18.6047
            9   C8x C    16.2716  -20.0196
            10  C8x C    17.4842  -20.7193
            11  C8y C    18.6965  -20.0189
            12  C8x C    18.6960  -18.6039
            13  C8x C    17.4834  -17.9043
            14  O2b O    10.1976  -20.7200
            15  O2b O    19.9047  -20.7160
            16  P1a P     9.0021  -20.0296
            17  O2b O     7.7896  -19.3296
            18  S0  S     9.7129  -18.7979
            19  O2b O     8.3135  -21.2227
            20  P1a P    21.0966  -20.0273
            21  O2b O    22.2390  -19.2573
            22  O2b O    21.8275  -21.1974
            23  S0  S    20.3443  -18.8228
            24  C1a C     6.5668  -20.0358
            25  C1a C     6.9301  -21.2228
            26  C1a C    23.5110  -19.8784
            27  C1a C    23.2386  -21.2182
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    2  14 1
            16   11  15 1
            17   14  16 1
            18   16  17 1
            19   16  18 2
            20   16  19 1
            21   15  20 1
            22   20  21 1
            23   20  22 1
            24   20  23 2
            25   17  24 1
            26   19  25 1
            27   21  26 1
            28   22  27 1

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Drug (1)   
   LigandBox (1)   
Chemical substance (5)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   NIKKAJI (1)   
Gene (1)   
   KEGG ORTHOLOGY (1)   
All databases (7)   

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