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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-04-06 16:21:39 UTC
Update Date2021-09-14 15:44:40 UTC
HMDB IDHMDB0012244
Secondary Accession Numbers
  • HMDB12244
Metabolite Identification
Common NameKinetin-9-N-glucoside
DescriptionKinetin-9-N-glucoside belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Kinetin-9-N-glucoside is a strong basic compound (based on its pKa). Kinetin-9-N-glucoside is the product of the reaction between kinetin and UDP-D-glucose, with UDP as a co-product. The reaction is catalyzed by a UDP glycosyltransferase.
Structure
Thumb
Synonyms
ValueSource
Kinetin 9-glucosideHMDB
N-(2-Furanylmethyl)-9-beta-D-glucopyranosyl-9H-purin-6-amineHMDB
N-(2-Furanylmethyl)-9-β-D-glucopyranosyl-9H-purin-6-amineHMDB
N-Furfuryl-9-beta-D-glucopyranosyladenineHMDB
N-Furfuryl-9-β-D-glucopyranosyladenineHMDB
Kinetin-9-N-glucosideHMDB
Chemical FormulaC16H19N5O6
Average Molecular Weight377.357
Monoisotopic Molecular Weight377.133533352
IUPAC Name(2R,3R,4S,5S,6R)-2-(6-{[(furan-2-yl)methyl]amino}-9H-purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional Name(2R,3R,4S,5S,6R)-2-{6-[(furan-2-ylmethyl)amino]purin-9-yl}-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Registry Number98177-43-6
SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C(NCC3=CC=CO3)N=CN=C12
InChI Identifier
InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-10-14(18-6-19-15(10)21)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16-/m1/s1
InChI KeyOYLTWZIEBYEQGY-HDNYONAXSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentGlycosylamines
Alternative Parents
Substituents
  • Hexose monosaccharide
  • N-glycosyl compound
  • 6-alkylaminopurine
  • 6-aminopurine
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Monosaccharide
  • N-substituted imidazole
  • Oxane
  • Pyrimidine
  • Imidolactam
  • Imidazole
  • Heteroaromatic compound
  • Furan
  • Azole
  • Secondary alcohol
  • Polyol
  • Azacycle
  • Oxacycle
  • Organoheterocyclic compound
  • Amine
  • Organonitrogen compound
  • Alcohol
  • Organic nitrogen compound
  • Primary alcohol
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
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 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 IDHMDB0012244
KNApSAcK IDNot Available
Chemspider ID9720093
KEGG Compound IDNot Available
BioCyc IDCPD-4611
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound11545314
PDB IDNot Available
ChEBI IDNot Available
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 ReferencesNot Available