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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:15 UTC
Update Date2025-03-21 18:36:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00113353
Frequency23.4
Structure
Chemical FormulaC36H58N2O29
Molecular Mass982.3125
SMILESCC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(OC(C(=O)O)C(O)C(O)C=O)C3O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI KeyWSJAOJDHHHPXCC-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
  • acetamides
  • alpha-hydroxyaldehydes
  • beta hydroxy acids and derivatives
  • beta-hydroxy aldehydes
  • c-glucuronides
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acyl glycosides of mono- and disaccharides
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • ketals
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
  • short-chain hydroxy acids and derivatives
    • Substituents
  • fatty acyl
  • fatty acyl glycoside of mono- or disaccharide
  • beta-hydroxy aldehyde
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • heterocyclic fatty acid
  • monosaccharide
  • fatty acid
  • carboxylic acid derivative
  • pyran carboxylic acid
  • n-acyl-alpha-hexosamine
  • beta-hydroxy acid
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydroxy fatty acid
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • fatty acyl glycoside
  • aldehyde
  • hydroxy acid
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound