Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:41 UTC
Update Date2025-03-25 00:54:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205108
Frequency0.5
Structure
Chemical FormulaC50H102O29S
Molecular Mass1198.6227
SMILESO=S(=O)(O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI KeyVFBPTSXQKLVMMM-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
  • alcohols and polyols
  • alkyl sulfates
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • sulfuric acid monoester
  • ether
  • dialkyl ether
  • organic oxide
  • organic oxygen compound
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • organooxygen compound