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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:27:40 UTC
Update Date2025-03-24 22:04:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01985073
Frequency0.6
Structure
Chemical FormulaC48H78N4O35
Molecular Mass1270.4447
SMILESCC(=O)NC1C(O)CC(OCC2OC(OC3CC(O)C(NC(C)=O)C(OC(O)C(O)C(O)C=O)C3O)C(NC(C)=O)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI KeyIPISENZMPJVXCA-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 aldehydes
  • c-glucuronides
  • carboxylic acids
  • cyclitols and derivatives
  • cyclohexanols
  • dicarboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary carboxylic acid amides
    • Substituents
  • beta-hydroxy aldehyde
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • n-acyl-alpha-hexosamine
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • cyclohexanol
  • aldehyde
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound