Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:53 UTC
Update Date2025-03-21 17:58:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00012929
Frequency349.1
Structure
Chemical FormulaC6H13O12PS
Molecular Mass339.9865
SMILESO=P(O)(O)OC1OC(COS(=O)(=O)O)C(O)C(O)C1O
InChI KeyJRQXNDDROPWLRC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic phosphoric acids and derivatives
Subclass phosphate esters
Direct Parent monoalkyl phosphates
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sulfuric acid monoesters
  • Substituents
  • alcohol
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • monosaccharide
  • oxacycle
  • saccharide
  • organic oxide
  • organic oxygen compound
  • monoalkyl phosphate
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • oxane
  • sulfuric acid ester
  • organoheterocyclic compound
  • organooxygen compound