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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:45 UTC
Update Date2025-03-25 00:58:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02228257
Frequency0.5
Structure
Chemical FormulaC12H16N2O2S
Molecular Mass252.0932
SMILESC=CC1=C(C)C(=C=NCCCS(C)=O)NC1=O
InChI KeyOMAACAAOOBFLRH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
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
  • secondary carboxylic acid amides
  • sulfinyl compounds
  • sulfoxides
    • Substituents
  • carbonyl group
  • lactam
  • azacycle
  • organic 1,3-dipolar compound
  • organosulfur compound
  • carboxamide group
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • sulfinyl compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound