Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:39 UTC
Update Date2025-03-25 00:52:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195830
Frequency0.5
Structure
Chemical FormulaC21H34O6
Molecular Mass382.2355
SMILESCC12CCC(O)CC1C(O)CC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO
InChI KeyYZEJGGKLJNZFGY-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
  • 17-hydroxysteroids
  • 20-oxosteroids
  • 21-hydroxysteroids
  • 3-hydroxysteroids
  • 6-hydroxysteroids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • secondary alcohols
  • tertiary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • oxosteroid
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • 20-oxosteroid
  • aliphatic homopolycyclic compound
  • ketone
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • 21-hydroxysteroid
  • secondary alcohol
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • 6-hydroxysteroid
  • progestogin-skeleton
  • organooxygen compound
  • 17-hydroxysteroid