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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:35 UTC
Update Date2025-03-21 18:04:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00049553
Frequency66.5
Structure
Chemical FormulaC24H40O4
Molecular Mass392.2927
SMILESCC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(O)CC12C
InChI KeyCKCMSORCKFSHLL-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
  • 11-hydroxysteroids
  • 3-hydroxysteroids
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • carboxylic acid derivative
  • bile acid, alcohol, or derivatives
  • aliphatic homopolycyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • organooxygen compound