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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:23 UTC
Update Date2025-03-25 01:00:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02243312
Frequency0.5
Structure
Chemical FormulaC25H40N2O19
Molecular Mass672.2225
SMILESCC(=O)NC1C(O)OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(C)(O)C(=O)O)O3)C(O)C(O)C2O)C1O
InChI KeyUBKQTLAHSCQGOH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent acylaminosugars
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • alpha hydroxy acids and derivatives
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • gamma amino acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
  • tertiary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • gamma amino acid or derivatives
  • alpha-hydroxy acid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • n-acyl-alpha-hexosamine
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • carboxamide group
  • acylaminosugar
  • oxacycle
  • secondary carboxylic acid amide
  • tertiary alcohol
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound