RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0049636
RefMet name	Gluconolactone
Systematic name	(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
Synonyms	PubChem Synonyms
Exact mass	178.047740 (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	C6H10O6	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37103 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
InChIKey	PHOQVHQSTUBQQK-SQOUGZDYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Hexoses
Distribution of Gluconolactone 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 Gluconolactone
External Links
Pubchem CID	7027
ChEBI ID	16217
KEGG ID	C00198
HMDB ID	HMDB0000150
Chemspider ID	6760
MetaCyc ID	GLC-D-LACTONE
EPA CompTox	DTXCID00209410
Spectral data for Gluconolactone 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 Gluconolactone

Rxn ID	KEGG Reaction	Enzyme
R01519	D-Glucono-1,5-lactone + H2O <=> D-Gluconic acid	D-Glucono-1,5-lactone lactonohydrolase

Table of KEGG human pathways containing Gluconolactone

Pathway ID	Human Pathway	# of reactions
hsa00030	Pentose phosphate pathway	1
hsa01200	Carbon metabolism	1