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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:23 UTC
Update Date2025-03-21 18:35:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103944
Frequency26.1
Structure
Chemical FormulaC16H20N2O6
Molecular Mass336.1321
SMILESO=C(O)CCC(NC(=O)c1ccc(N2CCC(O)C2)cc1)C(=O)O
InChI KeyFMIQNGNUZOBYSP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent glutamic acid and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • alpha amino acids
  • amino acids
  • aminobenzamides
  • aniline and substituted anilines
  • azacyclic compounds
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkylarylamines
  • dicarboxylic acids and derivatives
  • hippuric acids and derivatives
  • hydrocarbon derivatives
  • n-acyl-alpha amino acids
  • organic oxides
  • organopnictogen compounds
  • phenylpyrrolidines
  • pyrroles
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 1-phenylpyrrolidine
  • aromatic heteromonocyclic compound
  • amino acid
  • benzoyl
  • benzamide
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • dialkylarylamine
  • pyrrolidine
  • aminobenzoic acid or derivatives
  • tertiary amine
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • alcohol
  • azacycle
  • n-acyl-alpha-amino acid
  • 1,2-aminoalcohol
  • hippuric acid or derivatives
  • aniline or substituted anilines
  • benzoic acid or derivatives
  • glutamic acid or derivatives
  • carboxamide group
  • aminobenzamide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound