RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0155911
RefMet name	Xylose
Systematic name	(3R,4S,5R)-oxane-2,3,4,5-tetrol
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	37074 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1
InChIKey	SRBFZHDQGSBBOR-IOVATXLUSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1[C@H]([C@@H]([C@H](C(O)O1)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 Xylose 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 Xylose
External Links
Pubchem CID	135191
ChEBI ID	53455
KEGG ID	C00181
HMDB ID	HMDB0000098
Chemspider ID	119104
MetaCyc ID	XYLOSE
EPA CompTox	DTXCID60209350
PhytoHub DB	PHUB002335
Spectral data for Xylose standards
NP-MRD ID(NMR)	View NMR 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 Xylose

Rxn ID	KEGG Reaction	Enzyme
R01429	D-Xylose + NAD+ <=> D-Xylonolactone + NADH + H+	D-xylose:NAD+ 1-oxidoreductase
R01430	D-Xylose + NADP+ <=> D-Xylonolactone + NADPH + H+	D-xylose:NADP+ 1-oxidoreductase
R01431	Xylitol + NADP+ <=> D-Xylose + NADPH + H+	xylitol:NADP+ oxidoreductase
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 Xylose

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