Hmdb loader
Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:50:00 UTC
Update Date2025-03-21 18:02:31 UTC
HMDB IDHMDB0124940
Metabolite Identification
DeepMet IDDMID00038553
Name2-(sulfooxy)acetic acid
Frequency90.7
Structure
Chemical FormulaC2H4O6S
Molecular Mass155.9729
SMILESO=C(O)COS(=O)(=O)O
InChI KeyKHEDIYCQDPMFKF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass sulfuric acid esters
Direct Parent sulfuric acid monoesters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • organooxygen compound