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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 03:00:28 UTC
Update Date2022-03-07 02:56:58 UTC
HMDB IDHMDB0041337
Secondary Accession Numbers
  • HMDB41337
Metabolite Identification
Common Name2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin
Description2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin 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. 2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin has been detected, but not quantified in, fruits. This could make 2-O-alpha-D-galactopyranosyl-1-deoxynojirimycin a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on 2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin.
Structure
Data?1563863652
Synonyms
ValueSource
2-O-a-D-Galactopyranosyl-1-deoxynojirimycinGenerator
2-O-Α-D-galactopyranosyl-1-deoxynojirimycinGenerator
Chemical FormulaC12H23NO9
Average Molecular Weight325.3123
Monoisotopic Molecular Weight325.137281339
IUPAC Name2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional Name2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Registry Number155168-05-1
SMILES
OCC1NCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI Identifier
InChI=1S/C12H23NO9/c14-2-4-7(16)8(17)5(1-13-4)21-12-11(20)10(19)9(18)6(3-15)22-12/h4-20H,1-3H2
InChI KeyCQLSQWAVFSEMIE-UHFFFAOYSA-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
  • Monosaccharide
  • Oxane
  • Piperidine
  • 1,2-aminoalcohol
  • Secondary alcohol
  • Acetal
  • Secondary aliphatic amine
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Polyol
  • Secondary amine
  • Hydrocarbon derivative
  • Alcohol
  • Organonitrogen compound
  • Amine
  • Organic nitrogen compound
  • Primary alcohol
  • Organopnictogen compound
  • 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 IDFDB021260
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound73038179
PDB IDNot Available
ChEBI ID167953
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.. .