paraoxon (CHEBI:27827)

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ChEBI Name	paraoxon

ChEBI ID	CHEBI:27827

Definition	An aryl dialkyl phosphate where both the alkyl groups are ethyl and the aryl group is 4-nitrophenyl.

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

Secondary ChEBI IDs	CHEBI:7924, CHEBI:25855

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Formula

C10H14NO6P

Net Charge

Average Mass

275.19500

Monoisotopic Mass

275.05587

InChI

InChI=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

InChIKey

WYMSBXTXOHUIGT-UHFFFAOYSA-N

SMILES

CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed

Roles Classification
Biological Role(s):	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.

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. (via organophosphorus insecticide ) pesticide Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. (via organophosphorus pesticide )

ChEBI Ontology
Outgoing	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	Sources
diethyl p-nitrophenyl phosphate	ChemIDplus
diethyl paraoxon	UM-BBD
ethyl paraoxon	ChemIDplus
O,O-diethyl O-p-nitrophenyl phosphate	ChemIDplus
p-nitrophenyl diethyl phosphate	ChemIDplus
Paraoxon	KEGG COMPOUND
paraoxon	UniProt
phosphacol	ChemIDplus
phosphoric acid diethyl 4-nitrophenyl ester	ChemIDplus

Last Modified

11 April 2018