RefMet Compound Details

MW structure	37475 (View MW Metabolite Database details)
RefMet name	Xylulose 5-phosphate
Systematic name	{[(2R,3S)-2,3,5-trihydroxy-4-oxopentyl]oxy}phosphonic acid
SMILES	C(C(=O)[C@H]([C@@H](COP(=O)(O)O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	230.019158 (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	C5H11O8P	View other entries in RefMet with this formula
InChI	InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1
InChIKey	FNZLKVNUWIIPSJ-RFZPGFLSSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Monosaccharide phosphates
Pubchem CID	439190
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Xylulose 5-phosphate

Rxn ID	KEGG Reaction	Enzyme
R01529	D-Ribulose 5-phosphate <=> D-Xylulose 5-phosphate	D-Ribulose-5-phosphate 3-epimerase
R01639	ATP + D-Xylulose <=> ADP + D-Xylulose 5-phosphate	ATP:D-xylulose 5-phosphotransferase

Table of KEGG human pathways containing Xylulose 5-phosphate

Pathway ID	Human Pathway	# of reactions
hsa00030	Pentose phosphate pathway	3
hsa01200	Carbon metabolism	3
hsa01230	Biosynthesis of amino acids	3
hsa00040	Pentose and glucuronate interconversions	2