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 ChemicalBook:CB2724915, eMolecules:509860, ZINC000000097471
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 Types Sources
15481093 PubMed citation Europe PMC
16277414 PubMed citation Europe PMC
18752016 PubMed citation Europe PMC
25035914 PubMed citation Europe PMC
26587344 PubMed citation Europe PMC
3716649 PubMed citation Europe PMC
4078230 PubMed citation Europe PMC
4396637 PubMed citation Europe PMC
632538 PubMed citation Europe PMC
6680731 PubMed citation Europe PMC
7175099 PubMed citation Europe PMC
7338594 PubMed citation Europe PMC
7378942 PubMed citation Europe PMC
8005 PubMed citation Europe PMC
948750 PubMed citation Europe PMC
Last Modified
02 March 2021