RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0108986
RefMet name	Galactitol
Systematic name	(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol
Synonyms	PubChem Synonyms
Exact mass	182.079040 (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	C6H14O6	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37077 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-
InChIKey	FBPFZTCFMRRESA-GUCUJZIJSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Sugar alcohols
Distribution of Galactitol 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 Galactitol
External Links
Pubchem CID	11850
ChEBI ID	16813
KEGG ID	C01697
HMDB ID	HMDB0000107
Chemspider ID	11357
MetaCyc ID	GALACTITOL
Spectral data for Galactitol standards
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 Galactitol

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

Table of KEGG human pathways containing Galactitol

Pathway ID	Human Pathway	# of reactions
hsa00052	Galactose metabolism	2
hsa01100	Metabolic pathways	2