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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:41 UTC
Update Date2025-03-25 00:56:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02216767
Frequency0.5
Structure
Chemical FormulaC10H14N2OS
Molecular Mass210.0827
SMILESCCC1=C(C)C(C2=NCCS2)NC1=O
InChI KeyZYBTULVNMCGYTI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classimidothioesters
Subclass imidothiolactones
Direct Parent imidothiolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • secondary carboxylic acid amides
  • thiazolines
    • Substituents
  • carbonyl group
  • lactam
  • meta-thiazoline
  • azacycle
  • organic 1,3-dipolar compound
  • carboxamide group
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidothiolactone
  • organoheterocyclic compound
  • organooxygen compound