RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0160348
RefMet nameDiglycerol
Systematic name3-glyceryloxypropane-1,2-diol
SynonymsPubChem Synonyms
Exact mass166.084125 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H14O5View other entries in RefMet with this formula
Molecular descriptors
Molfile71538 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2
InChIKeyGPLRAVKSCUXZTP-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC(C(COCC(CO)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassGlycerolipids
Main ClassMonoradylglycerols
Sub ClassO-MG (Monoalkylglycerols)
Distribution of Diglycerol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Diglycerol
External Links
Pubchem CID42953
ChEBI ID140430
KEGG IDC15645
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Diglycerol

Rxn IDKEGG ReactionEnzyme
R07380 1-(1-Alkenyl)-sn-glycero-3-phosphoethanolamine + H2O <=> 1-(1-Alkenyl)-sn-glycerol + Ethanolamine phosphateLysoplasmalogen ethanolamine phosphohydrolase

Table of KEGG human pathways containing Diglycerol

Pathway IDHuman Pathway# of reactions
hsa00565 Ether lipid metabolism 1
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