Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:41 UTC
Update Date2025-03-25 00:45:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150388
Frequency0.5
Structure
Chemical FormulaC6H10O2S2
Molecular Mass178.0122
SMILESCC1(C)CC(C(=O)O)SS1
InChI KeyOJXMDUFOSYEHQN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdithiolanes
Subclass 1,2-dithiolanes
Direct Parent 1,2-dithiolanes
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-dithiolane
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organic disulfide
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound