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CHEBI:38812 - phoxim
| Formula | C12H15N2O3PS |
| Net Charge | 0 |
| Average Mass | 298.304 |
| Monoisotopic Mass | 298.05410 |
| SMILES | CCOP(=S)(OCC)O/N=C(/C#N)c1ccccc1 |
| InChI | InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12- |
| InChIKey | ATROHALUCMTWTB-OWBHPGMISA-N |
| Roles Classification |
|---|
| Biological Roles: | 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. EC 3.1.1.8 (cholinesterase) inhibitor An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8). |
| Applications: | agrochemical An agrochemical is a substance that is used in agriculture or horticulture. 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) |
| phoxim (CHEBI:38812) has functional parent (hydroxyimino)(phenyl)acetonitrile (CHEBI:38842) |
| phoxim (CHEBI:38812) has role agrochemical (CHEBI:33286) |
| phoxim (CHEBI:38812) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) |
| phoxim (CHEBI:38812) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733) |
| phoxim (CHEBI:38812) is a organic thiophosphate (CHEBI:37512) |
| phoxim (CHEBI:38812) is a organothiophosphate insecticide (CHEBI:25715) |
| IUPAC Name |
|---|
| O-{[cyano(phenyl)methylidene]amino} O,O-diethyl phosphorothioate |
| Synonyms | Source |
|---|---|
| O-{[cyano(phenyl)methylidene]amino} O,O-diethyl thiophosphate | IUPAC |
| O-(α-cyanobenzylideneamino) O,O-diethyl thiophosphate | ChEBI |
| O,O-Diethyl-α-cyanobenzylidineaminooxyphosphonothiate | NIST Chemistry WebBook |
| Phenylglyoxylnitrile oxime O,O-diethyl phosphorothioate | ChemIDplus |
| α-(((Diethoxyphosphinothioyl)oxy)imino)benzeneacetonitrile | NIST Chemistry WebBook |
| Registry Numbers | Sources |
|---|---|
| Beilstein:2995646 | Beilstein |
| CAS:14816-18-3 | ChemIDplus |
| CAS:14816-18-3 | NIST Chemistry WebBook |
| CAS:14816-18-3 | KEGG COMPOUND |