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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:19:40 UTC
Update Date2025-03-24 20:42:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01537501
Frequency0.8
Structure
Chemical FormulaC6H9NOS
Molecular Mass143.0405
SMILESCC(=O)C1CCC(S)=N1
InChI KeyLEKQACPAIZGPDJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkylthiols
  • azacyclic compounds
  • cyclic imidothioic acids
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • pyrroline
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • alkylthiol
  • organooxygen compound
  • cyclic imidothioic acid