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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:12 UTC
Update Date2025-03-25 01:00:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245260
Frequency0.5
Structure
Chemical FormulaC12H18N2O3S
Molecular Mass270.1038
SMILESCN1C(=O)C2CSC(CCCCC(N)=O)C2C1=O
InChI KeyDOBDVFDLZWIIQH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent n-substituted carboxylic acid imides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylthioethers
  • dicarboximides
  • fatty amides
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • pyrrolidine-2-ones
  • thiolanes
    • Substituents
  • thiolane
  • primary carboxylic acid amide
  • fatty acyl
  • 2-pyrrolidone
  • carbonyl group
  • fatty amide
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • dicarboximide
  • pyrrolidine
  • carboxylic acid imide, n-substituted
  • pyrrolidone
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • dialkylthioether
  • carboxamide group
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound