Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:55:06 UTC
Update Date2025-03-21 18:04:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00050726
Frequency64.6
Structure
Chemical FormulaC21H36O4
Molecular Mass352.2614
SMILESCC12CC(O)C3C(CCC4CC(O)CCC43C)C1CCC2C(O)CO
InChI KeyAVWPXRTWDBUIQR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass pregnane steroids
Direct Parent gluco/mineralocorticoids, progestogins and derivatives
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 11-hydroxysteroids
  • 21-hydroxysteroids
  • 3-hydroxysteroids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • primary alcohols
  • secondary alcohols
  • Substituents
  • 20-hydroxysteroid
  • alcohol
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • aliphatic homopolycyclic compound
  • organic oxygen compound
  • 21-hydroxysteroid
  • secondary alcohol
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • primary alcohol
  • progestogin-skeleton
  • organooxygen compound