KEGG   DRUG: Phosmet
Entry
D08372                      Drug                                   
Name
Phosmet (BAN);
Poron (TN);
Del-Phos (TN)
Formula
C11H12NO4PS2
Exact mass
316.9945
Mol weight
317.321
Structure
Simcomp
Remark
Same as: C18756
Efficacy
Insecticide, Acetylcholinesterase inhibitor
Comment
organophosphorus compound
Target
acetylcholinesterase (AChE) [KO:K01049]
Other DBs
CAS: 732-11-6
PubChem: 96025058
ChEBI: 38786
LigandBox: D08372
LinkDB
KCF data

ATOM        19
            1   C8x C    16.5200  -17.9900
            2   C8x C    16.5200  -19.3900
            3   C8x C    17.7324  -20.0900
            4   C8y C    18.9449  -19.3900
            5   C8y C    18.9449  -17.9900
            6   C8x C    17.7324  -17.2900
            7   C5x C    20.2764  -19.8226
            8   N1y N    21.0993  -18.6900
            9   C5x C    20.2764  -17.5574
            10  O5x O    20.7075  -16.2306
            11  O5x O    20.7075  -21.1494
            12  C1b C    22.4700  -18.6900
            13  S2a S    23.1700  -19.9024
            14  P1a P    24.5700  -19.9024
            15  O2b O    25.9700  -19.9024
            16  S0  S    24.5700  -18.5024
            17  O2b O    24.5700  -21.3024
            18  C1a C    26.6604  -21.0979
            19  C1a C    23.3673  -21.9966
BOND        20
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    9  10 2
            12    7  11 2
            13    8  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 2
            18   14  17 1
            19   15  18 1
            20   17  19 1

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