MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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O,O-diethyl hydrogen thiophosphate

	Properties	Image
MNX_ID	MNXM4569
reference	chebi:28006
formula	C₄H₁₁O₃PS
global charge	0
mol weight	170.17
InChIKey	PKUWKAXTAVNIJR-UHFFFAOYSA-N
InChI	InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)
SMILES	CCOP(O)(=S)OCC

MNX internals

InChI (mnx)	InChI=1/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)
SMILES (mnx)	[CH3:1][CH2:3][O:6][P:8]([OH:5])([O:7][CH2:4][CH3:2])=[S:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28006 chebi:28006 PKUWKAXTAVNIJR-UHFFFAOYSA-N	O,O-diethyl hydrogen thiophosphate DETP Diethylthiophosphoric acid O,O-diethyl hydrogen phosphorothioate
seed.compound:cpd04011 seedM:cpd04011 PKUWKAXTAVNIJR-UHFFFAOYSA-M	DETP Diethylthiophosphoric acid diethylthiophosphate diethylthiophosphoric acid
hmdb:HMDB0001460 PKUWKAXTAVNIJR-UHFFFAOYSA-N	Diethylthiophosphate DETP Diethylthiophosphorate Diethylthiophosphoric acid O,O-Diethyl hydrogen thiophosphoric acid O,O-Diethyl phosphorothioate O,O-Diethyl phosphorothionate O,O-Diethyl phosphorothionate, ammonium salt O,O-Diethyl phosphorothionate, potassium salt O,O-Diethyl phosphorothionate, sodium salt diethoxy(sulfanylidene)phosphinous acid
envipath:...3f273ac23428 envipathM:...3f273ac23428 PKUWKAXTAVNIJR-UHFFFAOYSA-M	Diethylthiophosphoric acid
kegg.compound:C06607 keggC:C06607 PKUWKAXTAVNIJR-UHFFFAOYSA-N	Diethylthiophosphoric acid DETP
vmhM:detpt vmhmetabolite:detpt PKUWKAXTAVNIJR-UHFFFAOYSA-N	Diethylthiophosphoric acid diethoxy(sulfanylidene)phosphinous acid
envipath:...be3dc08ee8ab envipathM:...be3dc08ee8ab PKUWKAXTAVNIJR-UHFFFAOYSA-M	compound 0047093
CHEBI:156216 chebi:156216 PKUWKAXTAVNIJR-UHFFFAOYSA-M	diethylthiophosphate DETP(1-) O,O-diethyl phosphorothioate O,O-diethyl thiophosphate
metacyc.compound:DIETHYLTHIOPHOSPHATE metacycM:DIETHYLTHIOPHOSPHATE PKUWKAXTAVNIJR-UHFFFAOYSA-M	diethylthiophosphate DETP diethylthiophosphoric acid
hmdb:HMDB01460 chebi:23713 chebi:4533 chebi:49572 keggC:M_C06607 seedM:M_cpd04011 vmhM:M_detpt	secondary/obsolete/fantasy identifier