RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136355
RefMet name	D-Xylono-1,5-lactone
Systematic name	(3R,4S,5R)-3,4,5-trihydroxyoxan-2-one
Synonyms	PubChem Synonyms
Exact mass	148.037175 (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	C5H8O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	41464 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1
InChIKey	XXBSUZSONOQQGK-FLRLBIABSA-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	Organoheterocyclic compounds
Main Class	Lactones
Sub Class	Delta valerolactones
Distribution of D-Xylono-1,5-lactone 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 D-Xylono-1,5-lactone
External Links
Pubchem CID	439692
ChEBI ID	15867
KEGG ID	C02266
HMDB ID	HMDB0011676
Chemspider ID	388758
MetaCyc ID	CPD-360
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 D-Xylono-1,5-lactone

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

Table of KEGG human pathways containing D-Xylono-1,5-lactone

Pathway ID	Human Pathway	# of reactions
hsa00040	Pentose and glucuronate interconversions	1
hsa01100	Metabolic pathways	1