CHEBI:28055 - aminoparathion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name aminoparathion
ChEBI ID CHEBI:28055
Definition An organic thiophosphate that is 4-aminophenol in which the hydroxy group is replaced by a (diethoxyphosphorothioyl)oxy group. It is a metabolite of parathion.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2657, CHEBI:22518
Supplier Information
Download Molfile XML SDF
Formula C10H16NO3PS
Net Charge 0
Average Mass 261.280
Monoisotopic Mass 261.05885
InChI InChI=1S/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
InChIKey XIZOTXGJXSTQDI-UHFFFAOYSA-N
SMILES CCOP(=S)(OCC)OC1=CC=C(N)C=C1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aminoparathion (CHEBI:28055) has functional parent 4-aminophenol (CHEBI:17602)
aminoparathion (CHEBI:28055) has functional parent parathion (CHEBI:27928)
aminoparathion (CHEBI:28055) has role bacterial xenobiotic metabolite (CHEBI:76976)
aminoparathion (CHEBI:28055) has role environmental contaminant (CHEBI:78298)
aminoparathion (CHEBI:28055) has role human xenobiotic metabolite (CHEBI:76967)
aminoparathion (CHEBI:28055) is a organic thiophosphate (CHEBI:37512)
aminoparathion (CHEBI:28055) is a organothiophosphate insecticide (CHEBI:25715)
aminoparathion (CHEBI:28055) is a substituted aniline (CHEBI:48975)
IUPAC Name
O-(4-aminophenyl) O,O-diethyl phosphorothioate
Synonyms Sources
4-aminoparathion ChEBI
amino-parathion MetaCyc
E 605 reduced ChemIDplus
O,O-diethyl O-(4-aminophenyl) phosphorothioate ChemIDplus
p-aminoparathion ChemIDplus
parathion amino NIST Chemistry WebBook
phosphorothioic acid, O-(4-aminophenyl) O,O-diethyl ester ChemIDplus
thiophosphoric acid diethyl 4-aminophenyl ester ChEBI
thiophosphoric acid O-(4-aminophenyl) O,O-diethyl ester ChEBI
Manual Xrefs Databases
215 ChemSpider
AMINO-PARATHION MetaCyc
c0089 UM-BBD
C06605 KEGG COMPOUND
FDB022660 FooDB
HMDB0001504 HMDB
View more database links
Registry Numbers Types Sources
3735-01-1 CAS Registry Number ChemIDplus
3735-01-1 CAS Registry Number NIST Chemistry WebBook
5543468 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15481093 PubMed citation Europe PMC
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Last Modified
02 March 2021