Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:28 UTC
Update Date2025-03-25 00:45:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149898
Frequency0.5
Structure
Chemical FormulaC6H12O5S
Molecular Mass196.0405
SMILESCCOS(=O)(=O)OC(=O)C(C)C
InChI KeyWOBIOAOLJKTMKU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass sulfuric acid esters
Direct Parent sulfuric acid diesters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl sulfates
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • sulfuric acid diester
  • alkyl sulfate
  • hydrocarbon derivative
  • organooxygen compound