Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:15 UTC
Update Date2025-03-21 18:34:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101135
Frequency27.0
Structure
Chemical FormulaC22H36O5
Molecular Mass380.2563
SMILESCC12CCC(O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)CCC(=O)O
InChI KeyAUMZSNCTVRNLCD-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
  • 3-hydroxysteroids
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • tertiary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • androgen-skeleton
  • 3-hydroxysteroid
  • hydroxysteroid
  • cyclic alcohol
  • carboxylic acid derivative
  • aliphatic homopolycyclic compound
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • organooxygen compound
  • 17-hydroxysteroid