EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:34632 - chlorpyrifos-methyl
| Formula | C7H7Cl3NO3PS |
| Net Charge | 0 |
| Average Mass | 322.537 |
| Monoisotopic Mass | 320.89498 |
| SMILES | COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl |
| InChI | InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3 |
| InChIKey | HRBKVYFZANMGRE-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| 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. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| 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. acaricide A substance used to destroy pests of the subclass Acari (mites and ticks). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| chlorpyrifos-methyl (CHEBI:34632) has role acaricide (CHEBI:22153) |
| chlorpyrifos-methyl (CHEBI:34632) has role agrochemical (CHEBI:33286) |
| chlorpyrifos-methyl (CHEBI:34632) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) |
| chlorpyrifos-methyl (CHEBI:34632) has role environmental contaminant (CHEBI:78298) |
| chlorpyrifos-methyl (CHEBI:34632) has role insecticide (CHEBI:24852) |
| chlorpyrifos-methyl (CHEBI:34632) has role xenobiotic (CHEBI:35703) |
| chlorpyrifos-methyl (CHEBI:34632) is a chloropyridine (CHEBI:39173) |
| chlorpyrifos-methyl (CHEBI:34632) is a organic thiophosphate (CHEBI:37512) |
| IUPAC Name |
|---|
| O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate |
| Synonyms | Source |
|---|---|
| Chlorpyrifos-methyl | KEGG COMPOUND |
| Chloropyriphos-methyl | KEGG COMPOUND |
| O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate | IUPAC |
| Chlorpyrifos O,O-dimethyl analog | ChemIDplus |
| O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate | ChemIDplus |
| Methyl chlorpyrifos | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C14520 | KEGG COMPOUND |
| chlorpyrifos-methyl | Alan Wood's Pesticides |
| 155 | PPDB |