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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:48 UTC
Update Date2025-03-25 00:46:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157573
Frequency0.5
Structure
Chemical FormulaC10H17NO9
Molecular Mass295.0903
SMILESO=C(O)CCNC(=O)C(O)C(O)C(O)C(O)C(=O)CO
InChI KeyLXWLFLNSJNNXIU-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
  • acyloins
  • alpha-hydroxy ketones
  • beta-hydroxy ketones
  • 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
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty amide
  • monosaccharide
  • alpha-hydroxy ketone
  • ketone
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • carboxamide group
  • n-acyl-amine
  • beta amino acid or derivatives
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound