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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:33:13 UTC
Update Date2022-03-07 02:52:19 UTC
HMDB IDHMDB0029882
Secondary Accession Numbers
  • HMDB29882
Metabolite Identification
Common NameSakebiose
DescriptionSakebiose, also known as nigerose or 3-O-TPMP, 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. Sakebiose has been detected, but not quantified in, fruits. This could make sakebiose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Sakebiose.
Structure
Thumb
Synonyms
ValueSource
3-O-TalopyranosylmannopyranosideHMDB
NigeroseHMDB
3-O-alpha-D-Talopyranosyl-alpha-D-mannopyranosideHMDB
3-O-TPMPHMDB
3-O-a-D-Mannopyranosyl-D-galactoseHMDB
3-O-Α-D-mannopyranosyl-D-galactoseHMDB
Chemical FormulaC12H22O11
Average Molecular Weight342.2965
Monoisotopic Molecular Weight342.116211546
IUPAC Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-3,4,5-triol
Traditional Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-3,4,5-triol
CAS Registry Number497-48-3
SMILES
OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6+,7+,8+,9-,10+,11+,12-/m1/s1
InChI KeyQIGJYVCQYDKYDW-TYBDYOQQSA-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
  • O-glycosyl compound
  • Disaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point156 °CNot 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 LocationsNot Available
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 IDFDB018292
KNApSAcK IDC00050493
Chemspider ID30776797
KEGG Compound IDC01518
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNigerose
METLIN IDNot Available
PubChem Compound97050062
PDB IDNot Available
ChEBI ID7570
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.. .