Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:47 UTC
Update Date2025-03-25 00:55:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209995
Frequency0.5
Structure
Chemical FormulaC22H36O4
Molecular Mass364.2614
SMILESCC1(C)C(O)CCC2(C)C3C(O)CC4(C)C(CCC4(O)C=O)C3CCC12
InChI KeyPAMDVVALAYLLMI-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
  • 11-hydroxysteroids
  • 17-hydroxysteroids
  • 20-oxosteroids
  • 3-hydroxysteroids
  • aldehydes
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • tertiary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • oxosteroid
  • androgen-skeleton
  • 3-hydroxysteroid
  • hydroxysteroid
  • aldehyde
  • cyclic alcohol
  • 20-oxosteroid
  • aliphatic homopolycyclic compound
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • organooxygen compound
  • 17-hydroxysteroid