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CHEBI:34917 - phenthoate
| Formula | C12H17O4PS2 |
| Net Charge | 0 |
| Average Mass | 320.372 |
| Monoisotopic Mass | 320.03059 |
| SMILES | CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1 |
| InChI | InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3 |
| InChIKey | XAMUDJHXFNRLCY-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Role: | EC 3.1.1.7 (acetylcholinesterase) inhibitor An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. |
| Applications: | agrochemical An agrochemical is a substance that is used in agriculture or horticulture. acaricide A substance used to destroy pests of the subclass Acari (mites and ticks). insecticide Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. pesticide Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. pesticide Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| phenthoate (CHEBI:34917) has role acaricide (CHEBI:22153) |
| phenthoate (CHEBI:34917) has role agrochemical (CHEBI:33286) |
| phenthoate (CHEBI:34917) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) |
| phenthoate (CHEBI:34917) is a ethyl ester (CHEBI:23990) |
| phenthoate (CHEBI:34917) is a organic thiophosphate (CHEBI:37512) |
| phenthoate (CHEBI:34917) is a organothiophosphate insecticide (CHEBI:25715) |
| IUPAC Name |
|---|
| ethyl [(dimethoxyphosphorothioyl)sulfanyl](phenyl)acetate |
| Synonyms | Source |
|---|---|
| Phenthoate | KEGG COMPOUND |
| Fenthoate | KEGG COMPOUND |
| Ethyl α-((dimethoxyphosphenothioyl)thio)benzeneacetate | ChEBI |
| Dimephenthioate | ChemIDplus |
| O,O-Dimethyl S-α-Ethoxycarbonylbenzyl phosphorodithioate | NIST Chemistry WebBook |
| S-[α-(Ethoxycarbonyl)benzyl] O,O-dimethyl phosphorodithioate | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| C14429 | KEGG COMPOUND |
| CN102037996 | Patent |
| CN102037953 | Patent |
| Phenthoate | Wikipedia |
| 518 | PPDB |