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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:42:31 UTC
Update Date2025-03-25 00:23:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01305463
Frequency1.0
Structure
Chemical FormulaC7H9NO2
Molecular Mass139.0633
SMILESCC=C1NC(=O)C(C)C1=O
InChI KeyGTPFLACTKNEEQE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-2-ones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • carboxylic acids and derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-3-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • azacycle
  • 3-pyrrolidone
  • cyclic ketone
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound