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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:34 UTC
Update Date2025-03-25 00:48:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168311
Frequency0.5
Structure
Chemical FormulaC31H51NO6
Molecular Mass533.3716
SMILESCC(CCC(=O)NCC(=O)O)C1CCC2C3(C)CC(O)C4C(CCC5CC(O)CCC54C)C3CC(O)C12C
InChI KeyYRLHPTSZEVKVCT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass hydroxysteroids
Direct Parent hydroxysteroids
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • 12-hydroxysteroids
  • 6-hydroxysteroids
  • acyl glycines
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • estrane steroids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • sesterterpenoids
    • Substituents
  • fatty acyl
  • carbonyl group
  • 12-hydroxysteroid
  • carboxylic acid
  • fatty amide
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • sesterterpenoid
  • aliphatic homopolycyclic compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • n-acyl-alpha amino acid or derivatives
  • alcohol
  • n-acyl-alpha-amino acid
  • estrane-skeleton
  • hydroxysteroid
  • cyclic alcohol
  • carboxamide group
  • n-acyl-amine
  • n-acylglycine
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • 6-hydroxysteroid
  • organic nitrogen compound
  • organooxygen compound