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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:42 UTC
Update Date2025-03-25 00:57:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225937
Frequency0.5
Structure
Chemical FormulaC25H41NO3
Molecular Mass403.3086
SMILESCC(=O)NCCCC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
InChI KeyRNQIHHBQXCDOGE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass androstane steroids
Direct Parent androgens and derivatives
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 20-oxosteroids
  • 3-hydroxysteroids
  • acetamides
  • carboxylic acids and derivatives
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • androgen-skeleton
  • carboxylic acid derivative
  • 20-oxosteroid
  • aliphatic homopolycyclic compound
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • alcohol
  • oxosteroid
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound