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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:44 UTC
Update Date2025-03-25 00:47:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164087
Frequency0.5
Structure
Chemical FormulaC17H27NO5S
Molecular Mass357.161
SMILESCC12CCC(OS(=O)(=O)O)CC1CCC1C3CCC(=O)N3CCC12
InChI KeyRYKQVFRWTSPRJJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass oxosteroids
Direct Parent oxosteroids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 17-oxosteroids
  • alkyl sulfates
  • azacyclic compounds
  • azasteroids and derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • indolizidines
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • piperidines
  • pyrrolidine-2-ones
  • sulfated steroids
  • sulfuric acid monoesters
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • sulfuric acid monoester
  • carbonyl group
  • lactam
  • sulfated steroid
  • 3-sulfated steroid
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • azasteroid
  • alkyl sulfate
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • piperidine
  • pyrrolidone
  • organoheterocyclic compound
  • organic sulfuric acid or derivatives
  • indolizidine
  • oxosteroid
  • azacycle
  • n-alkylpyrrolidine
  • carboxamide group
  • 13-azasteroid
  • organic oxygen compound
  • sulfated steroid skeleton
  • sulfate-ester
  • 17-oxosteroid
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound