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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:15 UTC
Update Date2025-03-21 18:03:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00043956
Frequency77.1
Structure
Chemical FormulaC21H37NO16
Molecular Mass559.2112
SMILESCC(=O)NC1C(OCC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChI KeyQPSXPUFZIVPCSR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-acyl-alpha-hexosamines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • ether
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • n-acyl-alpha-hexosamine
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound