RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0160822
RefMet nameXylulose
Systematic name(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one
SynonymsPubChem Synonyms
Exact mass150.052825 (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
FormulaC5H10O5View other entries in RefMet with this formula
Molecular descriptors
Molfile37878 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m1/s1
InChIKeyZAQJHHRNXZUBTE-WUJLRWPWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC([C@H]([C@@H](C(=O)CO)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassCarbohydrates
Main ClassMonosaccharides
Sub ClassPentoses
Distribution of Xylulose 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 Xylulose
External Links
Pubchem CID5289590
ChEBI ID17140
KEGG IDC00310
HMDB IDHMDB0001644
Chemspider ID4451524
MetaCyc IDD-XYLULOSE
Spectral data for Xylulose standards
MassBank(EU)View MS spectra
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 Xylulose

Rxn IDKEGG ReactionEnzyme
R01639 ATP + D-Xylulose <=> ADP + D-Xylulose 5-phosphateATP:D-xylulose 5-phosphotransferase
R01896 Xylitol + NAD+ <=> D-Xylulose + NADH + H+xylitol:NAD+ 2-oxidoreductase (D-xylulose-forming)

Table of KEGG human pathways containing Xylulose

Pathway IDHuman Pathway# of reactions
hsa00040 Pentose and glucuronate interconversions 2
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