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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2020-02-26 21:23:26 UTC
HMDB IDHMDB0001504
Secondary Accession Numbers
  • HMDB01504
Metabolite Identification
Common NameAminoparathion
DescriptionAminoparathion, also known as e 605 reduced or parathion amino, belongs to the class of organic compounds known as phenyl thiophosphates. These are organothiophosphorus compounds that contain a thiophosphoric acid O-esterified with a phenyl group. Aminoparathion has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make aminoparathion a potential biomarker for the consumption of these foods. Aminoparathion is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Aminoparathion.
Structure
Thumb
Synonyms
ValueSource
4-AminoparathionChEBI
Amino-parathionChEBI
e 605 ReducedChEBI
O,O-Diethyl O-(4-aminophenyl) phosphorothioateChEBI
p-AminoparathionChEBI
Parathion aminoChEBI
Phosphorothioic acid, O-(4-aminophenyl) O,O-diethyl esterChEBI
Thiophosphoric acid diethyl 4-aminophenyl esterChEBI
Thiophosphoric acid O-(4-aminophenyl) O,O-diethyl esterChEBI
O,O-Diethyl O-(4-aminophenyl) phosphorothioic acidGenerator
Phosphorothioate, O-(4-aminophenyl) O,O-diethyl esterGenerator
Thiophosphate diethyl 4-aminophenyl esterGenerator
Thiophosphate O-(4-aminophenyl) O,O-diethyl esterGenerator
APHMDB
Chemical FormulaC10H16NO3PS
Average Molecular Weight261.278
Monoisotopic Molecular Weight261.058850585
IUPAC NameO-4-aminophenyl O,O-diethyl phosphorothioate
Traditional NameO-4-aminophenyl O,O-diethyl phosphorothioate
CAS Registry Number3735-01-1
SMILES
CCOP(=S)(OCC)OC1=CC=C(N)C=C1
InChI Identifier
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
InChI KeyXIZOTXGJXSTQDI-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenyl thiophosphates. These are organothiophosphorus compounds that contain a thiophosphoric acid O-esterified with a phenyl group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic thiophosphoric acids and derivatives
Sub ClassThiophosphoric acid esters
Direct ParentPhenyl thiophosphates
Alternative Parents
Substituents
  • Phenyl thiophosphate
  • Phenoxy compound
  • Aniline or substituted anilines
  • Thiophosphate triester
  • Benzenoid
  • Monocyclic benzene moiety
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.39 mg/mLNot Available
LogP2.60HANSCH,C ET AL. (1995)
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022660
KNApSAcK IDNot Available
Chemspider ID215
KEGG Compound IDC06605
BioCyc IDAMINO-PARATHION
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6284
PubChem Compound220
PDB IDNot Available
ChEBI ID28055
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceRung, Bruno; Schwack, Wolfgang. Aminoparathion: A highly reactive metabolite of parathion. 1. Reactions with polyphenols and polyphenol oxidase. Journal of Agricultural and Food Chemistry (2005), 53(23), 9140-9145.
Material Safety Data Sheet (MSDS)Not Available
General References