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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:49 UTC
Update Date2025-03-25 00:51:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189512
Frequency0.5
Structure
Chemical FormulaC27H46O3
Molecular Mass418.3447
SMILESCC(CCC(=O)O)CC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
InChI KeyOKDSOOWEGBPRFG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass hydroxysteroids
Direct Parent 3-hydroxysteroids
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • carbocyclic fatty acids
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • fatty acyl
  • carbocyclic fatty acid
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • aliphatic homopolycyclic compound
  • organic oxide
  • medium-chain fatty acid
  • hydroxy fatty acid
  • alcohol
  • methyl-branched fatty acid
  • 3-hydroxysteroid
  • cyclic alcohol
  • branched fatty acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound