Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:26:51 UTC
Update Date2025-03-24 20:19:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01411447
Frequency0.9
Structure
Chemical FormulaC7H12N2O
Molecular Mass140.095
SMILESCN1CC2CNCC2C1=O
InChI KeyFITYIFCGCNWDQG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
  • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • aliphatic heteropolycyclic compound
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • secondary aliphatic amine
  • azacycle
  • n-alkylpyrrolidine
  • secondary amine
  • carboxamide group
  • beta amino acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine