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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:44 UTC
Update Date2025-03-25 00:47:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161814
Frequency0.5
Structure
Chemical FormulaC15H17N3O3
Molecular Mass287.127
SMILESC=CC1=C(C)C(=C2N=C(N)C(CCC(=O)O)=C2C)NC1=O
InChI KeyPPYVYBZATQAKSO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidolactams
Subclass imidolactams
Direct Parent imidolactams
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • azacycle
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • carboxamide group
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam
  • organooxygen compound