EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:38876 - pyraclofos
| Formula | C14H18ClN2O3PS |
| Net Charge | 0 |
| Average Mass | 360.803 |
| Monoisotopic Mass | 360.04643 |
| SMILES | CCCSP(=O)(OCC)Oc1cnn(-c2ccc(Cl)cc2)c1 |
| InChI | InChI=1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3 |
| InChIKey | QHGVXILFMXYDRS-UHFFFAOYSA-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. 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) |
| pyraclofos (CHEBI:38876) has role agrochemical (CHEBI:33286) |
| pyraclofos (CHEBI:38876) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) |
| pyraclofos (CHEBI:38876) is a monochlorobenzenes (CHEBI:83403) |
| pyraclofos (CHEBI:38876) is a organic thiophosphate (CHEBI:37512) |
| pyraclofos (CHEBI:38876) is a organochlorine insecticide (CHEBI:25705) |
| pyraclofos (CHEBI:38876) is a organosulfur compound (CHEBI:33261) |
| pyraclofos (CHEBI:38876) is a organothiophosphate insecticide (CHEBI:25715) |
| pyraclofos (CHEBI:38876) is a pyrazoles (CHEBI:26410) |
| IUPAC Name |
|---|
| O-[1-(4-chlorophenyl)-1H-pyrazol-4-yl] O-ethyl S-propyl phosphorothioate |
| Synonyms | Source |
|---|---|
| Voltage | ChemIDplus |
| Phosphorothioic acid, O-(1-(4-chlorophenyl)-1H-pyrazol-4-yl) O-ethyl S-propyl ester | ChemIDplus |
| O-[1-(4-chlorophenyl)-1H-pyrazol-4-yl] O-ethyl S-propyl thiophosphate | IUPAC |
| Boltage | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:8702515 | Beilstein |
| CAS:89784-60-1 | ChemIDplus |
| CAS:77458-01-6 | KEGG COMPOUND |