Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:06 UTC
Update Date2025-03-25 00:54:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208334
Frequency0.5
Structure
Chemical FormulaC28H48O4S
Molecular Mass480.3273
SMILESCC(C)CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CC(OS(=O)(=O)O)C(C)(C)C1CC3
InChI KeyCJTUEYQHMUEFPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass cholestane steroids
Direct Parent cholestane steroids
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • alkyl sulfates
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • sulfuric acid monoesters
  • Substituents
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • aliphatic homopolycyclic compound
  • organic oxide
  • organic oxygen compound
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • cholestane-skeleton
  • sulfuric acid ester
  • organooxygen compound