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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:50:26 UTC
Update Date2025-03-24 20:55:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01610381
Frequency0.8
Structure
Chemical FormulaC6H11NO3
Molecular Mass145.0739
SMILESCOC1CC(C)(O)NC1=O
InChI KeyDEHFYYVRFLALSI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-2-ones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkanolamines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • ether
  • lactam
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • dialkyl ether
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • alkanolamine