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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:05 UTC
Update Date2025-03-25 01:00:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242585
Frequency0.5
Structure
Chemical FormulaC14H24O3S2
Molecular Mass304.1167
SMILESCC(=O)CCCCC1SCSC1CCCCC(=O)O
InChI KeyMYMIBWBWLCSCRC-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 heteromonocyclic compounds
Alternative Parents
  • 1,3-dithiolanes
  • carboxylic acids
  • dialkylthioethers
  • dithioacetals
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • heterocyclic fatty acid
  • dialkylthioether
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • dithiolane
  • thioether
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • thioacetal
  • 1,3-dithiolane
  • organoheterocyclic compound
  • organooxygen compound