Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:38 UTC
Update Date2025-03-25 01:01:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246298
Frequency0.5
Structure
Chemical FormulaC5H9O8PS
Molecular Mass259.9756
SMILESCC1=CC(COP(=O)(O)O)OS(=O)(=O)O1
InChI KeyULDYXKBRDDGLJE-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 heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • sulfuric acid diester
  • phosphoric acid ester
  • monoalkyl phosphate
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organoheterocyclic compound
  • organooxygen compound