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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:27 UTC
Update Date2025-03-25 01:00:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245829
Frequency0.5
Structure
Chemical FormulaC8H12N2OS
Molecular Mass184.067
SMILESCC1=NC2CCC(=O)NC2CS1
InChI KeyZDIYWFVABOLMEH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass piperidinones
Direct Parent piperidinones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-thiazines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • delta lactams
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • azacycle
  • organic 1,3-dipolar compound
  • carboxamide group
  • carboxylic acid derivative
  • delta-lactam
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • meta-thiazine
  • piperidinone
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound