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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:34 UTC
Update Date2025-03-25 00:55:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02214253
Frequency0.5
Structure
Chemical FormulaC22H39NO2
Molecular Mass349.2981
SMILESCN(C)CC1(O)CCC2C3CCC4CC(O)CCC4(C)C3CCC21C
InChI KeyBMJJXMGADQTHGH-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
  • 1,2-aminoalcohols
  • 17-hydroxysteroids
  • 3-hydroxysteroids
  • alkaloids and derivatives
  • azasteroids and derivatives
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pregnane-type alkaloids
  • secondary alcohols
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • androgen-skeleton
  • pregnane-type alkaloid
  • aliphatic homopolycyclic compound
  • azasteroid
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • 17-hydroxysteroid
  • alcohol
  • 1,2-aminoalcohol
  • 3-hydroxysteroid
  • tertiary aliphatic amine
  • hydroxysteroid
  • cyclic alcohol
  • steroidal alkaloid
  • tertiary alcohol
  • alkaloid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound