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CHEBI:27827 - paraoxon

ChEBI IDCHEBI:27827
ChEBI Nameparaoxon
Stars
DefinitionAn aryl dialkyl phosphate where both the alkyl groups are ethyl and the aryl group is 4-nitrophenyl.
Secondary ChEBI IDsCHEBI:7924, CHEBI:25855
Last Modified11 April 2018
DownloadsMolfile
FormulaC10H14NO6P
Net Charge0
Average Mass275.197
Monoisotopic Mass275.05587
SMILESCCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
InChIKeyWYMSBXTXOHUIGT-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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:
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.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
paraoxon (CHEBI:27827) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
paraoxon (CHEBI:27827) has role mouse metabolite (CHEBI:75771)
paraoxon (CHEBI:27827) is a aryl dialkyl phosphate (CHEBI:37558)
paraoxon (CHEBI:27827) is a organophosphate insecticide (CHEBI:25708)
IUPAC Name 
diethyl 4-nitrophenyl phosphate
Synonyms  Source
diethyl p-nitrophenyl phosphateChemIDplus
diethyl paraoxonUM-BBD
O,O-diethyl O-p-nitrophenyl phosphateChemIDplus
p-nitrophenyl diethyl phosphateChemIDplus
ethyl paraoxonChemIDplus
ParaoxonKEGG COMPOUND
UniProt Name  Source
paraoxonUniProt
Manual XrefsDatabases
4683DrugCentral
c0088UM-BBD
C06606KEGG COMPOUND
ParaoxonWikipedia
Registry NumbersSources
Reaxys:1915526Reaxys
Gmelin:51821Gmelin
CAS:311-45-5ChemIDplus
CAS:311-45-5KEGG COMPOUND
Citations