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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:28 UTC
Update Date2025-03-25 00:57:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227648
Frequency0.5
Structure
Chemical FormulaC13H19NO10
Molecular Mass349.1009
SMILESCC(=O)N1CC(O)CC1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyGWPUFQCDWAVJBX-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
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • o-glucuronides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • proline and derivatives
  • pyran carboxylic acids
  • pyrrolidine carboxylic acids
  • secondary alcohols
  • tertiary carboxylic acid amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • n-acylpyrrolidine
  • o-glucuronide
  • monosaccharide
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • pyrrolidine carboxylic acid
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • oxane
  • pyrrolidine
  • organoheterocyclic compound
  • acetamide
  • n-acyl-alpha amino acid or derivatives
  • proline or derivatives
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • n-acyl-alpha-amino acid
  • hydroxy acid
  • carboxamide group
  • oxacycle
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • carboxylic acid ester
  • alpha-amino acyl ester of carbohydrate
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound