RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0042958
RefMet name	Hexose
Systematic name	6-methyloltetrahydropyran-2,3,4,5-tetrol
Synonyms	PubChem Synonyms
Exact mass	180.063390 (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	C6H12O6	View other entries in RefMet with this formula
Molecular descriptors
Molfile	71389 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
InChIKey	WQZGKKKJIJFFOK-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C1C(C(C(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 Hexose 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 Hexose
External Links
Pubchem CID	206
ChEBI ID	167473
KEGG ID	C00984
HMDB ID	HMDB0250761
Spectral data for Hexose standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Hexose

Rxn ID	KEGG Reaction	Enzyme
R01092	ATP + alpha-D-Galactose <=> ADP + alpha-D-Galactose 1-phosphate	ATP:alpha-D-galactose 1-phosphotransferase
R10619	D-Galactose <=> alpha-D-Galactose	D-galactose 1-epimerase

Table of KEGG human pathways containing Hexose

Pathway ID	Human Pathway	# of reactions
hsa00052	Galactose metabolism	2
hsa00520	Amino sugar and nucleotide sugar metabolism	1