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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 3.1.1.8 (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.
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
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