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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:12 UTC
Update Date2025-03-25 00:46:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153982
Frequency0.5
Structure
Chemical FormulaC11H15NO4S
Molecular Mass257.0722
SMILESCC(=O)CCC1SCC2NC(=O)C(C(=O)O)C21
InChI KeyZQYDDLHCKRLUIH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidine carboxylic acids and derivatives
Direct Parent pyrrolidine carboxylic acids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • ketones
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • thiolanes
    • Substituents
  • thiolane
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • carboxylic acid
  • carboxylic acid derivative
  • ketone
  • aliphatic heteropolycyclic compound
  • organic oxide
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidone
  • azacycle
  • dialkylthioether
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound