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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:47 UTC
Update Date2025-03-21 18:39:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126529
Frequency20.2
Structure
Chemical FormulaC29H48O3
Molecular Mass444.3603
SMILESCC(CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3)C(=O)O
InChI KeyFNSPRENCVGBJMX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass hydroxysteroids
Direct Parent hydroxysteroids
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 3-hydroxysteroids
  • bile acids, alcohols and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • fatty acyls
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • triterpenoids
    • Substituents
  • alcohol
  • fatty acyl
  • polycyclic triterpenoid
  • carbonyl group
  • carboxylic acid
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • carboxylic acid derivative
  • bile acid, alcohol, or derivatives
  • medium-chain hydroxy acid
  • aliphatic homopolycyclic compound
  • triterpenoid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organooxygen compound