Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:00 UTC
Update Date2025-03-25 00:46:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155835
Frequency0.5
Structure
Chemical FormulaC6H10O5S
Molecular Mass194.0249
SMILESCC(=O)CC(=O)CCS(=O)(=O)O
InChI KeyPUMLTDPEHBDPNN-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
  • ketones
  • organic oxides
  • sulfonyls
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organosulfonic acid
  • organosulfur compound
  • ketone
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound