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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:26 UTC
Update Date2025-03-21 18:35:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104076
Frequency26.1
Structure
Chemical FormulaC18H23N3O6
Molecular Mass377.1587
SMILESCN1C(=O)CCC1CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI KeyWUVVMLQRHDWINJ-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
  • alpha amino acids
  • amino acids
  • azacyclic compounds
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acids
  • delta amino acids and derivatives
  • dicarboxylic acids and derivatives
  • hippuric acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-acyl-alpha amino acids
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • phenylalkylamines
  • pyrrolidine-2-ones
  • secondary alkylarylamines
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
  • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid
  • benzoyl
  • benzamide
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • delta amino acid or derivatives
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • azacycle
  • n-acyl-alpha-amino acid
  • n-alkylpyrrolidine
  • hippuric acid or derivatives
  • benzoic acid or derivatives
  • glutamic acid or derivatives
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound