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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:24 UTC
Update Date2025-03-21 18:40:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130417
Frequency19.5
Structure
Chemical FormulaC37H62O3
Molecular Mass554.4699
SMILESCCCCCCC=CCCCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(O)CCC32)C1
InChI KeyPQLFJSNYSZEUDM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass steroid esters
Direct Parent steroid esters
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 17-hydroxysteroids
  • androstane steroids
  • carbonyl compounds
  • carboxylic acid esters
  • cyclic alcohols and derivatives
  • delta-5-steroids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • delta-5-steroid
  • alcohol
  • carbonyl group
  • hydroxysteroid
  • cyclic alcohol
  • carboxylic acid derivative
  • steroid ester
  • aliphatic homopolycyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • androstane-skeleton
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound
  • 17-hydroxysteroid