Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:54 UTC
Update Date2025-03-25 00:57:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226422
Frequency0.5
Structure
Chemical FormulaC22H38O4
Molecular Mass366.277
SMILESCC(CO)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C
InChI KeyQHKKVVSVLIULLX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass bile acids, alcohols and derivatives
Direct Parent bile acids, alcohols and derivatives
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 12-hydroxysteroids
  • 17-hydroxysteroids
  • 21-hydroxysteroids
  • 3-hydroxysteroids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • primary alcohols
  • secondary alcohols
  • tertiary alcohols
  • Substituents
  • alcohol
  • 12-hydroxysteroid
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • bile acid, alcohol, or derivatives
  • aliphatic homopolycyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • 21-hydroxysteroid
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound
  • 17-hydroxysteroid