RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0160822
RefMet name	Xylulose
Systematic name	(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one
Synonyms	PubChem Synonyms
Exact mass	150.052825 (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	C5H10O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37878 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m1/s1
InChIKey	ZAQJHHRNXZUBTE-WUJLRWPWSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@H]([C@@H](C(=O)CO)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Pentoses
Distribution of Xylulose 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 Xylulose
External Links
Pubchem CID	5289590
ChEBI ID	17140
KEGG ID	C00310
HMDB ID	HMDB0001644
Chemspider ID	4451524
MetaCyc ID	D-XYLULOSE
Spectral data for Xylulose standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Xylulose

Rxn ID	KEGG Reaction	Enzyme
R01639	ATP + D-Xylulose <=> ADP + D-Xylulose 5-phosphate	ATP: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 ID	Human Pathway	# of reactions
hsa00040	Pentose and glucuronate interconversions	2