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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:57 UTC
Update Date2025-03-21 18:36:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112624
Frequency23.6
Structure
Chemical FormulaC42H72O2
Molecular Mass608.5532
SMILESCCCCCCCCCCCCC=CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1
InChI KeyJSVUPDKVAIOMQU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass steroid esters
Direct Parent cholesteryl esters
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • cholesterols and derivatives
  • delta-5-steroids
  • enoate esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • delta-5-steroid
  • enoate ester
  • carbonyl group
  • carboxylic acid derivative
  • cholesterol
  • aliphatic homopolycyclic compound
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • cholestane-skeleton
  • cholesteryl ester
  • organooxygen compound