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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:49 UTC
Update Date2025-03-21 18:39:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126606
Frequency20.2
Structure
Chemical FormulaC9H16O2S2
Molecular Mass220.0592
SMILESO=C(O)CCCCC1CCSSC1
InChI KeyRVKJRBOYLXPUTN-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
  • carbonyl compounds
  • carboxylic acids
  • dithianes
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic disulfides
  • organic oxides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • heterocyclic fatty acid
  • carboxylic acid derivative
  • 1,2-dithiane
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organic disulfide
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organoheterocyclic compound
  • organooxygen compound