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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:19 UTC
Update Date2025-03-21 18:32:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00091527
Frequency30.6
Structure
Chemical FormulaC5H8O2S2
Molecular Mass163.9966
SMILESO=C(O)C1CCCSS1
InChI KeyJYWJCVNSTMEANR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdithianes
Subclass dithianes
Direct Parent dithianes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic disulfides
  • organic oxides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • 1,2-dithiane
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organic disulfide
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound