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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:19 UTC
Update Date2025-03-21 18:33:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00096365
Frequency28.7
Structure
Chemical FormulaC9H15NO8
Molecular Mass265.0798
SMILESO=CC(O)C(O)C(O)C(O)C(=O)NCCC(=O)O
InChI KeyFGQXLKSCMGDILD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • beta-hydroxy aldehyde
  • carbonyl group
  • carboxylic acid
  • fatty amide
  • monosaccharide
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • aldehyde
  • carboxamide group
  • n-acyl-amine
  • beta amino acid or derivatives
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound