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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:50:09 UTC
Update Date2025-03-25 00:26:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01323593
Frequency1.0
Structure
Chemical FormulaC5H7NO2S
Molecular Mass145.0197
SMILESCSC1NC(=O)CC1=O
InChI KeyDAXNFPJYPLJKOH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-2-ones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids and derivatives
  • cyclic ketones
  • dialkylthioethers
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-3-ones
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • thiohemiaminal derivatives
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • 3-pyrrolidone
  • cyclic ketone
  • organosulfur compound
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • hemithioaminal
  • organopnictogen compound
  • sulfenyl compound
  • azacycle
  • dialkylthioether
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound