RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0049768
RefMet name	L-Xylulose
Systematic name	(3R,4S)-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	37407 (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+/m0/s1
InChIKey	ZAQJHHRNXZUBTE-WVZVXSGGSA-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 L-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 L-Xylulose
External Links
Pubchem CID	22253
ChEBI ID	17399
KEGG ID	C00312
HMDB ID	HMDB0000751
Chemspider ID	20892
MetaCyc ID	L-XYLULOSE
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 L-Xylulose

Rxn ID	KEGG Reaction	Enzyme
R01904	Xylitol + NADP+ <=> L-Xylulose + NADPH + H+	Xylitol:NADP+ 4-oxidoreductase (L-xylulose-forming)

Table of KEGG human pathways containing L-Xylulose

Pathway ID	Human Pathway	# of reactions
hsa00040	Pentose and glucuronate interconversions	1