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Record Information
HMDB Statusquantified
Creation Date2024-02-21 00:26:12 UTC
Update Date2025-03-21 18:39:20 UTC
HMDB IDHMDB0000619
Metabolite Identification
DeepMet IDDMID00125118
NameCholic acid
Frequency20.5
Structure
Chemical FormulaC24H40O5
Molecular Mass408.2876
SMILESCC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
InChI KeyBHQCQFFYRZLCQQ-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
  • 3-hydroxysteroids
  • 7-hydroxysteroids
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • 12-hydroxysteroid
  • carboxylic acid
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • 7-hydroxysteroid
  • carboxylic acid derivative
  • bile acid, alcohol, or derivatives
  • aliphatic homopolycyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound