Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:21 UTC
Update Date2025-03-21 18:00:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00029806
Frequency125.2
Structure
Chemical FormulaC4H8O5S
Molecular Mass168.0092
SMILESCC(C)(C(=O)O)S(=O)(=O)O
InChI KeyBVJAYEVDNCCSIN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfonic acids and derivatives
Subclass organosulfonic acids and derivatives
Direct Parent organosulfonic acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • sulfonyls
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • organosulfonic acid
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound