RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0171443
RefMet name	Diethyldithiophosphate
Systematic name	ethoxy-ethylsulfanyl-oxido-thioxo-$l^{5}-phosphane
Synonyms	PubChem Synonyms
Exact mass	184.985987 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C4H10O2PS2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	74826 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C4H11O2PS2/c1-3-6-7(5,8)9-4-2/h3-4H2,1-2H3,(H,5,8)/p-1
InChIKey	OILHDBLLQZLFFI-UHFFFAOYSA-M	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCOP(=S)([O-])SCC Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Organic dithiophosphoric acids
Sub Class	Dithiophosphate esters
Distribution of Diethyldithiophosphate in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Diethyldithiophosphate
External Links
Pubchem CID	53249491
ChEBI ID	166464
HMDB ID	HMDB0061736
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)