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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:39 UTC
Update Date2025-03-21 18:32:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00092341
Frequency30.3
Structure
Chemical FormulaC8H11NO7
Molecular Mass233.0536
SMILESCC(C(=O)O)C(=O)NC(CC(=O)O)C(=O)O
InChI KeyIXKZUXBNRGBSQV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent aspartic acid and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alpha amino acids
  • carboxylic acids
  • hydrocarbon derivatives
  • n-acyl-alpha amino acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • tricarboxylic acids and derivatives
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • n-acyl-alpha-amino acid
  • tricarboxylic acid or derivatives
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aspartic acid or derivatives
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound
  • n-acyl-alpha amino acid or derivatives