EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:34757 - fenitrothion

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:
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).
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
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
FenitrothionKEGG COMPOUND
O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioateKEGG COMPOUND
MEPKEGG COMPOUND
O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphateIUPAC
O,O-Dimethyl O-4-nitro-m-tolyl phosphorothioateChemIDplus
Manual XrefsDatabases
C14442KEGG COMPOUND
HMDB0041893HMDB
FenitrothionWikipedia
299PPDB
Registry NumbersSources
Reaxys:1887367Reaxys
CAS:122-14-5KEGG COMPOUND
CAS:122-14-5ChemIDplus
Citations