Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:05 UTC
Update Date2025-03-25 00:56:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217732
Frequency0.5
Structure
Chemical FormulaC6H12O4S
Molecular Mass180.0456
SMILESCC=CCCC(O)S(=O)(=O)O
InChI KeyOENWSGGLJBKUHY-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
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • sulfonyls
  • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organosulfonic acid
  • hydrocarbon derivative
  • organosulfur compound
  • organooxygen compound