Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:02 UTC
Update Date2025-03-21 18:37:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115278
Frequency22.9
Structure
Chemical FormulaC40H68O3
Molecular Mass596.5168
SMILESCCCCCCC=CCCCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CCC2C(C)(C)O)C1
InChI KeyMCOPBRRGNAPJPC-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
  • carbonyl compounds
  • carboxylic acid esters
  • delta-5-steroids
  • hydrocarbon derivatives
  • hydroxysteroids
  • monocarboxylic acids and derivatives
  • organic oxides
  • pregnane steroids
  • tertiary alcohols
  • Substituents
  • delta-5-steroid
  • 20-hydroxysteroid
  • alcohol
  • carbonyl group
  • hydroxysteroid
  • carboxylic acid derivative
  • steroid ester
  • aliphatic homopolycyclic compound
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • pregnane-skeleton
  • organooxygen compound