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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:21:14 UTC
Update Date2025-03-21 19:12:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00253700
Frequency8.2
Structure
Chemical FormulaC6H12N2O
Molecular Mass128.095
SMILESCC(=O)N1CCC(N)C1
InChI KeyQTFVAHXVSVHNQR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-acylpyrrolidines
Direct Parent n-acylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary carboxylic acid amides
    • Substituents
  • carbonyl group
  • azacycle
  • n-acylpyrrolidine
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • acetamide
  • organooxygen compound