fenitrothion (CHEBI:34757)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	fenitrothion

ChEBI ID	CHEBI:34757

Definition	An organic thiophosphate that is O,O-dimethyl O-phenyl phosphorothioate substituted by a methyl group at position 3 and a nitro group at position 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C9H12NO5PS

Net Charge

Average Mass

277.23508

Monoisotopic Mass

277.01738

InChI

InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3

InChIKey

ZNOLGFHPUIJIMJ-UHFFFAOYSA-N

SMILES

COP(=S)(OC)Oc1ccc(c(C)c1)[N+]([O-])=O

Roles Classification
Biological Role(s):	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. 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).

Application(s):	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. 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).

ChEBI Ontology
Outgoing	fenitrothion (CHEBI:34757) has functional parent 4-nitro-m-cresol (CHEBI:38683) fenitrothion (CHEBI:34757) has role acaricide (CHEBI:22153) fenitrothion (CHEBI:34757) has role agrochemical (CHEBI:33286) fenitrothion (CHEBI:34757) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) fenitrothion (CHEBI:34757) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733) fenitrothion (CHEBI:34757) has role insecticide (CHEBI:24852) fenitrothion (CHEBI:34757) is a C-nitro compound (CHEBI:35716) fenitrothion (CHEBI:34757) is a organic thiophosphate (CHEBI:37512)

IUPAC Name

O,O-dimethyl O-(3-methyl-4-nitrophenyl)phosphorothioate

Synonyms	Sources
Fenitrothion	KEGG COMPOUND
MEP	KEGG COMPOUND
O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate	KEGG COMPOUND
O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate	IUPAC
O,O-Dimethyl O-4-nitro-m-tolyl phosphorothioate	ChemIDplus

Last Modified

12 May 2014