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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:14 UTC
Update Date2025-03-25 00:46:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156339
Frequency0.5
Structure
Chemical FormulaC18H31N3O4
Molecular Mass353.2315
SMILESCC(=O)C1CCC(=O)N1C(=O)C(CC(C)C)N=C(O)C(N)CC(C)C
InChI KeyNBEGEGRFYMADHX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent leucine and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acid amides
  • alpha amino acids
  • azacyclic compounds
  • carboximidic acids
  • carboxylic acids and derivatives
  • dicarboximides
  • hydrocarbon derivatives
  • ketones
  • monoalkylamines
  • n-acylpyrrolidines
  • n-substituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolidine-2-ones
    • Substituents
  • 2-pyrrolidone
  • carboximidic acid
  • carbonyl group
  • n-acylpyrrolidine
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • leucine or derivatives
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • dicarboximide
  • pyrrolidine
  • carboxylic acid imide, n-substituted
  • pyrrolidone
  • organoheterocyclic compound
  • alpha-amino acid amide
  • azacycle
  • organic 1,3-dipolar compound
  • carboxylic acid imide
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound