CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_28006 http://purl.obolibrary.org/obo/CHEBI_28006 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_28006 Loading
Preferred name	O,O-diethyl hydrogen thiophosphate
Synonyms	O,O-diethyl hydrogen phosphorothioate Diethylthiophosphoric acid DETP
Definitions	An organic thiophosphate that is the diethyl ester of phosphorothioic O,O,O-acid.

oboinowl_gen:hasAlternativeId	CHEBI:49572 CHEBI:4533 CHEBI:23713
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	CCOP(O)(=S)OCC
obo_purl:charge	0
obo_purl:inchikey	PKUWKAXTAVNIJR-UHFFFAOYSA-N
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_76967 http://purl.obolibrary.org/obo/CHEBI_75771
oboinowl_gen:hasDbXref	PDBeChem:DPJ KEGG:C06607 CAS:5871-17-0 Reaxys:774277 PMID:15050412 HMDB:HMDB0001460 PMID:23892639
obo_purl:IAO_0000115	An organic thiophosphate that is the diethyl ester of phosphorothioic O,O,O-acid.
skos:notation	CHEBI:28006
oboinowl_gen:hasExactSynonym	O,O-diethyl hydrogen phosphorothioate
obo_purl:mass	170.16700
obo_purl:inchi	InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)
obo_purl:formula	C4H11O3PS
obo_purl:is_conjugate_acid_of	http://purl.obolibrary.org/obo/CHEBI_156216
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	Diethylthiophosphoric acid DETP
oboinowl_gen:id	CHEBI:28006
rdfs:label	O,O-diethyl hydrogen thiophosphate
obo_purl:monoisotopicmass	170.01665
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_37512

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