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CHEBI:28006 - O,O-diethyl hydrogen thiophosphate

ChEBI IDCHEBI:28006
ChEBI NameO,O-diethyl hydrogen thiophosphate
Stars
ASCII NameO,O-diethyl hydrogen thiophosphate
DefinitionAn organic thiophosphate that is the diethyl ester of phosphorothioic O,O,O-acid.
Secondary ChEBI IDsCHEBI:4533, CHEBI:23713, CHEBI:49572
Last Modified20 July 2020
DownloadsMolfile
FormulaC4H11O3PS
Net Charge0
Average Mass170.170
Monoisotopic Mass170.01665
SMILESCCOP(O)(=S)OCC
InChIInChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)
InChIKeyPKUWKAXTAVNIJR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
O,O-diethyl hydrogen thiophosphate (CHEBI:28006) has role human xenobiotic metabolite (CHEBI:76967)
O,O-diethyl hydrogen thiophosphate (CHEBI:28006) has role mouse metabolite (CHEBI:75771)
O,O-diethyl hydrogen thiophosphate (CHEBI:28006) is a organic thiophosphate (CHEBI:37512)
O,O-diethyl hydrogen thiophosphate (CHEBI:28006) is conjugate acid of O,O-diethyl thiophosphate (CHEBI:156216)
Incoming Relation(s)
O,O-diethyl thiophosphate (CHEBI:156216) is conjugate base of O,O-diethyl hydrogen thiophosphate (CHEBI:28006)
IUPAC Name 
O,O-diethyl hydrogen phosphorothioate
Synonyms  Source
Diethylthiophosphoric acidKEGG COMPOUND
DETPKEGG COMPOUND
Manual XrefsDatabases
C06607KEGG COMPOUND
DPJPDBeChem
HMDB0001460HMDB
Registry NumbersSources
Reaxys:774277Reaxys
CAS:5871-17-0KEGG COMPOUND
Citations