Entry |
|
Name |
Phosmet (BAN); Poron (TN); Del-Phos (TN) |
Formula |
C11H12NO4PS2
|
Exact mass |
316.9945
|
Mol weight |
317.321
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Insecticide, Acetylcholinesterase inhibitor |
Comment |
organophosphorus compound
|
Target |
acetylcholinesterase (AChE) [KO: K01049] |
Other DBs |
|
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
|