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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:28 UTC
Update Date2025-03-25 00:52:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190924
Frequency0.5
Structure
Chemical FormulaC13H19NO3S2
Molecular Mass301.0806
SMILESC=CC1C(=O)NC2CSC(CCCCC(=O)O)SC21
InChI KeyMOTXIXUOBYSUMA-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
  • dithianes
  • dithioacetals
  • fatty acyls
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • carboxylic acid
  • 1,3-dithiane
  • heterocyclic fatty acid
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • azacycle
  • dialkylthioether
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • thioacetal
  • organic nitrogen compound
  • organooxygen compound