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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:55 UTC
Update Date2025-03-25 00:46:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157797
Frequency0.5
Structure
Chemical FormulaC13H19NO5S
Molecular Mass301.0984
SMILESO=C(O)CCCCC1CC(=O)NC2C(C(=O)O)CSC12
InChI KeyCORFYSBTRLLTFZ-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
  • delta lactams
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • piperidinones
  • secondary carboxylic acid amides
  • thiolanes
    • Substituents
  • thiolane
  • carbonyl group
  • lactam
  • carboxylic acid
  • heterocyclic fatty acid
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • piperidinone
  • medium-chain fatty acid
  • piperidine
  • organoheterocyclic compound
  • azacycle
  • dialkylthioether
  • carboxamide group
  • delta-lactam
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound