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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:49:14 UTC
Update Date2025-03-25 01:11:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02314130
Frequency0.5
Structure
Chemical FormulaC5H7NOS
Molecular Mass129.0248
SMILESCN1CCC(=O)C1=S
InChI KeyJGIDTCMXPISMKE-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
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • thiocarbonyl compounds
  • thiolactams
    • Substituents
  • carbonyl group
  • azacycle
  • 3-pyrrolidone
  • n-alkylpyrrolidine
  • thiocarbonyl group
  • cyclic ketone
  • organosulfur compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • thiolactam
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound