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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:51 UTC
Update Date2025-03-25 00:51:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189596
Frequency0.5
Structure
Chemical FormulaC29H48O2
Molecular Mass428.3654
SMILESCC(C)CCCC(C=O)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3
InChI KeyPPXJERBDZIDTFO-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
  • 3-hydroxysteroids
  • aldehydes
  • cholesterols and derivatives
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxosteroids
  • secondary alcohols
  • triterpenoids
  • Substituents
  • alcohol
  • polycyclic triterpenoid
  • carbonyl group
  • oxosteroid
  • 3-hydroxysteroid
  • cholesterol-skeleton
  • aldehyde
  • hydroxysteroid
  • cyclic alcohol
  • bile acid, alcohol, or derivatives
  • 22-oxosteroid
  • aliphatic homopolycyclic compound
  • triterpenoid
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • 21-oxosteroid
  • hydrocarbon derivative
  • cholestane-skeleton
  • organooxygen compound