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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:06 UTC
Update Date2025-03-25 00:54:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203747
Frequency0.5
Structure
Chemical FormulaC12H18N2O4S
Molecular Mass286.0987
SMILESO=C(O)CCCCC1SCCC2NC(=O)NC(=O)C21
InChI KeyQPYCGOGQBGGIEG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent medium-chain fatty acids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • diazinanes
  • dicarboximides
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acyl ureas
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrimidones
  • thianes
    • Substituents
  • carbonyl group
  • carboxylic acid
  • heterocyclic fatty acid
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • aliphatic heteropolycyclic compound
  • 1,3-diazinane
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • dicarboximide
  • ureide
  • organoheterocyclic compound
  • thiane
  • n-acyl urea
  • carbonic acid derivative
  • azacycle
  • dialkylthioether
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound