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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 18:17:39 UTC
Update Date2022-03-07 02:53:46 UTC
HMDB IDHMDB0033558
Secondary Accession Numbers
  • HMDB33558
Metabolite Identification
Common Name4-O-Methylgalactinol
Description4-O-Methylgalactinol, also known as D-galactosylononitol or galactosyl sequoyitol, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. 4-O-Methylgalactinol has been detected, but not quantified in, pulses. This could make 4-O-methylgalactinol a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 4-O-Methylgalactinol.
Structure
Thumb
Synonyms
ValueSource
3-O-a-D-Galactopyranosyl-4-O-methyl-D-myo-inositolChEBI
3-O-a-D-GalactopyranosylononitolChEBI
alpha-D-Galactopyranosyl-(1->3)-4-O-methyl-1D-myo-inositolChEBI
alpha-D-Galactosyl-(1->3)-4-O-methyl-1D-myo-inositolChEBI
D-GalactosylononitolChEBI
Galactosyl sequoyitolChEBI
O-alpha-D-Galactopyranosyl-(1->3)-4-O-methyl-D-myo-inositolChEBI
a-D-Galactopyranosyl-(1->3)-4-O-methyl-1D-myo-inositolGenerator
Α-D-galactopyranosyl-(1->3)-4-O-methyl-1D-myo-inositolGenerator
a-D-Galactosyl-(1->3)-4-O-methyl-1D-myo-inositolGenerator
Α-D-galactosyl-(1->3)-4-O-methyl-1D-myo-inositolGenerator
O-a-D-Galactopyranosyl-(1->3)-4-O-methyl-D-myo-inositolGenerator
O-Α-D-galactopyranosyl-(1->3)-4-O-methyl-D-myo-inositolGenerator
4-O-MethylgalactinolChEBI
3-(a-D-Galactosyl)ononitolGenerator
3-(Α-D-galactosyl)ononitolGenerator
Chemical FormulaC13H24O11
Average Molecular Weight356.3231
Monoisotopic Molecular Weight356.13186161
IUPAC Name(1S,2S,3S,4R,5S,6S)-5-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4-tetrol
Traditional Name(1S,2S,3S,4R,5S,6S)-5-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4-tetrol
CAS Registry Number75589-40-1
SMILES
CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChI Identifier
InChI=1S/C13H24O11/c1-22-11-8(19)6(17)7(18)9(20)12(11)24-13-10(21)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6+,7+,8-,9+,10-,11+,12+,13-/m1/s1
InChI KeyRSYNCMYDVZFZBP-KEUHYNFLSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glycosyl compounds
Alternative Parents
Substituents
  • Hexose monosaccharide
  • O-glycosyl compound
  • Cyclohexanol
  • Cyclitol or derivatives
  • Monosaccharide
  • Oxane
  • Cyclic alcohol
  • Secondary alcohol
  • Organoheterocyclic compound
  • Ether
  • Dialkyl ether
  • Oxacycle
  • Acetal
  • Polyol
  • Primary alcohol
  • Hydrocarbon derivative
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB011625
KNApSAcK IDNot Available
Chemspider ID8888583
KEGG Compound IDNot Available
BioCyc IDCPD-8058
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10713243
PDB IDNot Available
ChEBI ID133412
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .