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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:03 UTC
Update Date2025-03-21 18:35:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105564
Frequency25.6
Structure
Chemical FormulaC22H24N2O6
Molecular Mass412.1634
SMILESO=C(O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)Cc1ccccc1)C(=O)O
InChI KeyVAUQNUJXEBUYIH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent dipeptides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acid amides
  • alpha amino acids
  • amphetamines and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty amides
  • glutamic acid and derivatives
  • hydrocarbon derivatives
  • n-acyl-alpha amino acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenylacetamides
  • phenylalanine and derivatives
  • secondary carboxylic acid amides
  • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • fatty amide
  • alpha-amino acid or derivatives
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • phenylacetamide
  • amphetamine or derivatives
  • n-acyl-alpha amino acid or derivatives
  • alpha-amino acid amide
  • n-acyl-alpha-amino acid
  • glutamic acid or derivatives
  • carboxamide group
  • n-substituted-alpha-amino acid
  • aromatic homomonocyclic compound
  • alpha-dipeptide
  • secondary carboxylic acid amide
  • phenylalanine or derivatives
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound