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CHEBI:34757 - fenitrothion

Default Structure
ChEBI IDCHEBI:34757
ChEBI Namefenitrothion
Stars
DefinitionAn 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.
Last Modified12 May 2014
DownloadsMolfile
FormulaC9H12NO5PS
Net Charge0
Average Mass277.238
Monoisotopic Mass277.01738
SMILESCOP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3
InChIKeyZNOLGFHPUIJIMJ-UHFFFAOYSA-N
Wikipedia
Roles Classification
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.
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).
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)
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  Source
O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphateIUPAC
FenitrothionKEGG COMPOUND
MEPKEGG COMPOUND
O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioateKEGG COMPOUND
O,O-Dimethyl O-4-nitro-m-tolyl phosphorothioateChemIDplus
Manual XrefsDatabases
299PPDB
C14442KEGG COMPOUND
FenitrothionWikipedia
HMDB0041893HMDB
Registry NumbersSources
Reaxys:1887367Reaxys
CAS:122-14-5KEGG COMPOUND
CAS:122-14-5ChemIDplus
Citations