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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:03 UTC
Update Date2025-03-25 00:46:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155948
Frequency0.5
Structure
Chemical FormulaC21H40NO15+
Molecular Mass546.2392
SMILESC[N+](C)(C)C1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)C1O
InChI KeyLMQVCIXRUZWMFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent aminoglycosides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • acetals
  • amines
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • organic cations
  • organic salts
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tetraalkylammonium salts
    • Substituents
  • monosaccharide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • aminoglycoside core
  • organopnictogen compound
  • hemiacetal
  • organic cation
  • oxane
  • organic salt
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • tetraalkylammonium salt
  • 1,2-aminoalcohol
  • quaternary ammonium salt
  • oxacycle
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine