Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:56 UTC
Update Date2025-03-25 00:46:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157849
Frequency0.5
Structure
Chemical FormulaC11H18O2S2
Molecular Mass246.0748
SMILESO=C(O)CCCC1SSC2CCCCC21
InChI KeyLMXOMRYBGOXUSD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent heterocyclic fatty acids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-dithiolanes
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic disulfides
  • organic oxides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • heterocyclic fatty acid
  • carboxylic acid derivative
  • 1,2-dithiolane
  • aliphatic heteropolycyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • dithiolane
  • organic disulfide
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound