RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0034731
RefMet name	Galactose
Systematic name	(3R,4S,5R,6R)-6-(hydroxymethyl)oxane-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	49825 (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/t2-,3+,4+,5-,6?/m1/s1
InChIKey	WQZGKKKJIJFFOK-SVZMEOIVSA-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 Galactose 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 Galactose
External Links
Pubchem CID	6036
ChEBI ID	4139
KEGG ID	C00124
HMDB ID	HMDB0033704
EPA CompTox	DTXCID10196988
Spectral data for Galactose standards
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 Galactose

Rxn ID	KEGG Reaction	Enzyme
R01093	D-Galactose + NADH + H+ <=> Galactitol + NAD+	galactitol:NAD+ 1-oxidoreductase
R01095	D-Galactose + NADPH + H+ <=> Galactitol + NADP+	galactitol:NADP+ 1-oxidoreductase
R05549	D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose + H2O <=> D-Galactose + Melibiose	D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose + H2O <=> D-Galactose + Melibiose
R07807	G01977 + H2O <=> G13073 + D-Galactose	G01977 + H2O <=> G13073 + D-Galactose
R10619	D-Galactose <=> alpha-D-Galactose	D-galactose 1-epimerase

Table of KEGG human pathways containing Galactose

Pathway ID	Human Pathway	# of reactions
hsa00052	Galactose metabolism	9
hsa01100	Metabolic pathways	2
hsa00531	Glycosaminoglycan degradation	1