Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:23:22 UTC
Update Date2025-03-25 01:02:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02254741
Frequency0.5
Structure
Chemical FormulaC23H38O5
Molecular Mass394.2719
SMILESCC12CCC(O)CC1CCC1C2CC(O)C2(C)C1CCC2(O)CCCC(=O)O
InChI KeyNNSCVTCNMSIGBB-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
  • 12-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
  • 12-hydroxysteroid
  • 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
  • organooxygen compound
  • 17-hydroxysteroid