Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:31 UTC
Update Date2025-03-25 00:47:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163622
Frequency0.5
Structure
Chemical FormulaC21H37NO3
Molecular Mass351.2773
SMILESCC12CCC(O)CC1CC(O)C1C2CCC2(C)C1CCC2(O)CCN
InChI KeyJHFBECLHUNOEMI-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
  • 17-hydroxysteroids
  • 3-hydroxysteroids
  • 7-hydroxysteroids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • tertiary alcohols
  • Substituents
  • alcohol
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • 7-hydroxysteroid
  • aliphatic homopolycyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • progestogin-skeleton
  • organooxygen compound
  • 17-hydroxysteroid