CHEBI:27928 - parathion

ChEBI IDCHEBI:27928
ChEBI Nameparathion
Stars
Secondary ChEBI IDsCHEBI:7927, CHEBI:25857
Last Modified2 March 2021
DownloadsMolfile
FormulaC10H14NO5PS
Net Charge0
Average Mass291.265
Monoisotopic Mass291.03303
SMILESCCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
InChIKeyLCCNCVORNKJIRZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
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.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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:
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.
avicide  A substance used to destroy bird pests (class Aves).
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)
parathion (CHEBI:27928) has functional parent 4-nitrophenol (CHEBI:16836)
parathion (CHEBI:27928) has role acaricide (CHEBI:22153)
parathion (CHEBI:27928) has role agrochemical (CHEBI:33286)
parathion (CHEBI:27928) has role avicide (CHEBI:33289)
parathion (CHEBI:27928) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
parathion (CHEBI:27928) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
parathion (CHEBI:27928) has role mouse metabolite (CHEBI:75771)
parathion (CHEBI:27928) is a C-nitro compound (CHEBI:35716)
parathion (CHEBI:27928) is a organic thiophosphate (CHEBI:37512)
parathion (CHEBI:27928) is a organothiophosphate insecticide (CHEBI:25715)
Incoming Relation(s)
aminoparathion (CHEBI:28055) has functional parent parathion (CHEBI:27928)
IUPAC Name 
O,O-diethyl O-(4-nitrophenyl) phosphorothioate
Synonyms  Source
diethyl p-nitrophenyl thiophosphateNIST Chemistry WebBook
diethyl parathionNIST Chemistry WebBook
DNTPKEGG COMPOUND
O,O-diethyl O-(4-nitrophenyl) thiophosphateNIST Chemistry WebBook
O,O-diethyl O-(p-nitrophenyl) thiophosphateNIST Chemistry WebBook
ethyl parathionNIST Chemistry WebBook
Manual XrefsDatabases
506PPDB
c0084UM-BBD
C06604KEGG COMPOUND
C06604KEGG COMPOUND
Registry NumbersSources
Beilstein:2059093Beilstein
CAS:56-38-2ChemIDplus
CAS:56-38-2KEGG COMPOUND
CAS:56-38-2NIST Chemistry WebBook