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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 3.1.1.8 (cholinesterase) inhibitor An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8). 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. 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-(α-cyanobenzylideneamino) O,O-diethyl thiophosphate | ChEBI |
| O-{[cyano(phenyl)methylidene]amino} O,O-diethyl thiophosphate | IUPAC |
| Phenylglyoxylnitrile oxime O,O-diethyl phosphorothioate | ChemIDplus |
| α-(((Diethoxyphosphinothioyl)oxy)imino)benzeneacetonitrile | NIST Chemistry WebBook |
| O,O-Diethyl-α-cyanobenzylidineaminooxyphosphonothiate | 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 |