Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:21 UTC
Update Date2025-03-21 18:35:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103868
Frequency26.1
Structure
Chemical FormulaC21H34O5
Molecular Mass366.2406
SMILESCC12CCC(O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)CC(=O)O
InChI KeyPJXNTAOXUPCBOV-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
  • 3-hydroxysteroids
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • tertiary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • carboxylic acid derivative
  • aliphatic homopolycyclic compound
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • progestogin-skeleton
  • organooxygen compound
  • 17-hydroxysteroid