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CHEBI:38864 - propetamphos
| Formula | C10H20NO4PS |
| Net Charge | 0 |
| Average Mass | 281.314 |
| Monoisotopic Mass | 281.08507 |
| SMILES | CCNP(=S)(OC)O/C(C)=C/C(=O)OC(C)C |
| InChI | InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+ |
| InChIKey | BZNDWPRGXNILMS-VQHVLOKHSA-N |
| 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. 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) |
| propetamphos (CHEBI:38864) has functional parent isopropyl 3-hydroxybut-2-enoate (CHEBI:38868) |
| propetamphos (CHEBI:38864) has role agrochemical (CHEBI:33286) |
| propetamphos (CHEBI:38864) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) |
| propetamphos (CHEBI:38864) is a isopropyl ester (CHEBI:35725) |
| propetamphos (CHEBI:38864) is a organophosphate insecticide (CHEBI:25708) |
| propetamphos (CHEBI:38864) is a phosphoramidate ester (CHEBI:27577) |
| IUPAC Name |
|---|
| propan-2-yl (2E)-3-{[(ethylamino)(methoxy)phosphorothioyl]oxy}but-2-enoate |
| Synonyms | Source |
|---|---|
| O-methyl O-{1-[(propan-2-yl)oxycarbonyl]prop-1-en-2-yl} ethylamidothiophosphate | ChEBI |
| (E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate | ChemIDplus |
| 1-Methylethyl (E)-3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:1979853 | Beilstein |
| CAS:31218-83-4 | ChemIDplus |
| CAS:31218-83-4 | KEGG COMPOUND |