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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:16 UTC
Update Date2025-03-21 18:35:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106083
Frequency25.4
Structure
Chemical FormulaC11H19NO6
Molecular Mass261.1212
SMILESCCC(O)CCCC(O)=NC(CC(=O)O)C(=O)O
InChI KeyMDSNPBJYJDYIFM-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
  • alpha amino acids
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carboximidic acid
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • fatty acid
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydroxy fatty acid
  • alcohol
  • organic 1,3-dipolar compound
  • organic oxygen compound
  • aspartic acid or derivatives
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound