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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:23:23 UTC
Update Date2025-03-25 01:02:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02254745
Frequency0.5
Structure
Chemical FormulaC21H36O7S
Molecular Mass432.2182
SMILESCC12CCC(O)CC1CCC1C2CCC2(C)C1CCC2(O)C(O)COS(=O)(=O)O
InChI KeyFZCJRWYOGZVSIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass hydroxysteroids
Direct Parent hydroxysteroids
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 17-hydroxysteroids
  • 3-hydroxysteroids
  • alkyl sulfates
  • cyclic alcohols and derivatives
  • gluco/mineralocorticoids, progestogins and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • sulfated steroids
  • sulfuric acid monoesters
  • tertiary alcohols
    • Substituents
  • 20-hydroxysteroid
  • sulfuric acid monoester
  • sulfated steroid
  • 21-sulfated steroid
  • aliphatic homopolycyclic compound
  • organic oxide
  • alkyl sulfate
  • progestogin-skeleton
  • 17-hydroxysteroid
  • alcohol
  • organic sulfuric acid or derivatives
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • tertiary alcohol
  • organic oxygen compound
  • sulfated steroid skeleton
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • pregnane-skeleton
  • organooxygen compound