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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:50:09 UTC
Update Date2025-03-21 18:02:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00038903
Frequency89.7
Structure
Chemical FormulaC10H19NO2S2
Molecular Mass249.0857
SMILESO=C(CCCCC1CCSS1)NCCO
InChI KeyUKKQRPFDGXMFAQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdithiolanes
Subclass lipoamides
Direct Parent lipoamides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-dithiolanes
  • alcohols and polyols
  • alkanolamines
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acyl amines
  • n-acylethanolamines
  • organic disulfides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • fatty acyl
  • carbonyl group
  • fatty amide
  • carboxamide group
  • n-acylethanolamine
  • carboxylic acid derivative
  • n-acyl-amine
  • 1,2-dithiolane
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organic disulfide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • lipoamide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • alkanolamine