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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:07:26 UTC
Update Date2025-03-24 21:29:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01794844
Frequency0.7
Structure
Chemical FormulaC6H12N2O
Molecular Mass128.095
SMILESNCCC1NCCC1=O
InChI KeyRITBPXLXVUOLSB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-3-ones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic ketones
  • dialkylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • azacycle
  • 3-pyrrolidone
  • cyclic ketone
  • secondary amine
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amine