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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:17 UTC
Update Date2025-03-25 00:50:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181459
Frequency0.5
Structure
Chemical FormulaC11H15NO5S
Molecular Mass273.0671
SMILESO=C(O)CCCCC1SCC2C(C(=O)O)C(=O)N12
InChI KeyZGZGWAVKJMEUFU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent medium-chain fatty acids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • azetidinecarboxylic acids
  • azetidines
  • beta lactams
  • carboxylic acids
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary carboxylic acid amides
  • thiazolidines
  • thiohemiaminal derivatives
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • heterocyclic fatty acid
  • azetidinecarboxylic acid
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • hemithioaminal
  • organopnictogen compound
  • medium-chain fatty acid
  • organoheterocyclic compound
  • azacycle
  • dialkylthioether
  • carboxamide group
  • azetidine
  • organic oxygen compound
  • thioether
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • beta-lactam
  • organooxygen compound
  • thiazolidine