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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:08 UTC
Update Date2025-03-25 00:52:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194647
Frequency0.5
Structure
Chemical FormulaC27H52O11S
Molecular Mass584.323
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OCOC1OC(COS(=O)(=O)O)C(O)C(O)C1O
InChI KeyIWUSLQUWFISPAT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound