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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:22 UTC
Update Date2025-03-25 01:00:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02243251
Frequency0.5
Structure
Chemical FormulaC22H36N2O18
Molecular Mass616.1963
SMILESCC(=O)NC1C(OC2C(C(=O)O)OC(OC(=O)CN)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI KeyWKYWXYCLGUDGCW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha-amino acyl ester of carbohydrates
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acyl glycosides of mono- and disaccharides
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • n-acyl-alpha-hexosamines
  • o-glucuronides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • fatty acyl glycoside of mono- or disaccharide
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • o-glucuronide
  • monosaccharide
  • pyran carboxylic acid
  • n-acyl-alpha-hexosamine
  • 1-o-glucuronide
  • saccharide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • pyran carboxylic acid or derivatives
  • fatty acyl glycoside
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyran
  • carboxylic acid ester
  • alpha-amino acyl ester of carbohydrate
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound