EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:34631 - chlorpyrifos
| Formula | C9H11Cl3NO3PS |
| Net Charge | 0 |
| Average Mass | 350.591 |
| Monoisotopic Mass | 348.92628 |
| SMILES | CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl |
| InChI | InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3 |
| InChIKey | SBPBAQFWLVIOKP-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| Biological Roles: | EC 3.1.1.8 (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. 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. acaricide A substance used to destroy pests of the subclass Acari (mites and ticks). 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| chlorpyrifos (CHEBI:34631) has role acaricide (CHEBI:22153) |
| chlorpyrifos (CHEBI:34631) has role agrochemical (CHEBI:33286) |
| chlorpyrifos (CHEBI:34631) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) |
| chlorpyrifos (CHEBI:34631) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733) |
| chlorpyrifos (CHEBI:34631) has role environmental contaminant (CHEBI:78298) |
| chlorpyrifos (CHEBI:34631) has role insecticide (CHEBI:24852) |
| chlorpyrifos (CHEBI:34631) has role xenobiotic (CHEBI:35703) |
| chlorpyrifos (CHEBI:34631) is a chloropyridine (CHEBI:39173) |
| chlorpyrifos (CHEBI:34631) is a organic thiophosphate (CHEBI:37512) |
| IUPAC Name |
|---|
| O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate |
| Synonyms | Source |
|---|---|
| Chlorpyrifos | KEGG COMPOUND |
| chlorpyrifos ethyl | ChemIDplus |
| Chlorpyrifos-ethyl | ChemIDplus |
| Chlorpyriphos | KEGG COMPOUND |
| O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate | IUPAC |
| m-Chlorpyrifos | NIST Chemistry WebBook |
| Brand Names | Source |
|---|---|
| Bolton | ChEBI |
| Brodan | ChemIDplus |
| Cobalt | ChEBI |
| Detmol | ChemIDplus |
| Dowco 179 | ChEBI |
| Dursban | ChemIDplus |
| UniProt Name | Source |
|---|---|
| chlorpyrifos | UniProt |
| Manual Xrefs | Databases |
|---|---|
| 154 | PPDB |
| C14322 | KEGG COMPOUND |
| chlorpyrifos | Alan Wood's Pesticides |
| Chlorpyrifos | Wikipedia |
| D07688 | KEGG DRUG |
| HMDB0041856 | HMDB |
| Citations |
|---|