RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0022632
RefMet nameGlycolaldehyde dimer
Systematic name1,4-dioxane-2,5-diol
SynonymsPubChem Synonyms
Exact mass120.042260 (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
FormulaC4H8O4View other entries in RefMet with this formula
Molecular descriptors
Molfile87175 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C4H8O4/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2
InChIKeyATFVTAOSZBVGHC-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC1C(O)OCC(O)O1
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Chemical/Biochemical Classification
Super ClassOrganoheterocyclic compounds
Main ClassDioxanes
Sub Class1,4-dioxanes
Distribution of Glycolaldehyde dimer 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 Glycolaldehyde dimer
External Links
Pubchem CID186078
ChEBI ID166511
Chemspider ID161748
Spectral data for Glycolaldehyde dimer standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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