RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0034160
RefMet name	Xylitol
Systematic name	(2R,3R,4S)-Pentane-1,2,3,4,5-pentol
Synonyms	PubChem Synonyms
Exact mass	152.068475 (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	C5H12O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38221 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+
InChIKey	HEBKCHPVOIAQTA-SCDXWVJYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]([C@H]([C@@H](CO)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Sugar alcohols
Distribution of Xylitol in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Xylitol
External Links
Pubchem CID	6912
ChEBI ID	17151
KEGG ID	C00379
HMDB ID	HMDB0002917
Chemspider ID	21391692
MetaCyc ID	XYLITOL
EPA CompTox	DTXCID60209830
Spectral data for Xylitol standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
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 Xylitol

Rxn ID	KEGG Reaction	Enzyme
R01431	Xylitol + NADP+ <=> D-Xylose + NADPH + H+	xylitol:NADP+ oxidoreductase
R01896	Xylitol + NAD+ <=> D-Xylulose + NADH + H+	xylitol:NAD+ 2-oxidoreductase (D-xylulose-forming)
R01904	Xylitol + NADP+ <=> L-Xylulose + NADPH + H+	Xylitol:NADP+ 4-oxidoreductase (L-xylulose-forming)
R07152	Xylitol + Oxygen <=> D-Xylose + Hydrogen peroxide	xylitol:oxygen oxidoreductase
R09477	Xylitol + NAD+ <=> D-Xylose + NADH + H+	xylitol:NAD+ oxidoreductase

Table of KEGG human pathways containing Xylitol

Pathway ID	Human Pathway	# of reactions
hsa00040	Pentose and glucuronate interconversions	3
hsa01100	Metabolic pathways	2