RefMet Compound Details

RefMet ID	RM0160822
MW structure	37878 (View MW Metabolite Database details)
RefMet name	Xylulose
Systematic name	(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one
SMILES	C([C@H]([C@@H](C(=O)CO)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
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
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
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Pentoses
Pubchem CID	5289590
ChEBI ID	17140
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