RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0115814
RefMet nameN-Dimethylethanolamine phosphate
Systematic name2-(dimethylammonio)ethyl phosphate
SynonymsPubChem Synonyms
Exact mass168.042572 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC4H11NO4PView other entries in RefMet with this formula
Molecular descriptors
Molfile78583 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C4H12NO4P/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)/p-1
InChIKeyBLHVJAAEHMLMOI-UHFFFAOYSA-MView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCN(C)CCOP(=O)(O)[O-]
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Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassPhosphate esters
Sub ClassAlkyl phosphates
Distribution of N-Dimethylethanolamine phosphate in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting N-Dimethylethanolamine phosphate
External Links
Pubchem CID57694143
ChEBI ID58641
HMDB IDHMDB0304425
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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