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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:54 UTC
Update Date2025-03-25 00:46:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157795
Frequency0.5
Structure
Chemical FormulaC12H17NO5S
Molecular Mass287.0827
SMILESO=C(O)CCCCC1SCC2CC(C(=O)O)C(=O)N21
InChI KeyATROHBHJOUAQDE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolothiazoles
Subclass pyrrolothiazoles
Direct Parent pyrrolothiazoles
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • carboxylic acids
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • lactams
  • medium-chain fatty acids
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine carboxylic acids
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
  • thiazolidines
  • thiohemiaminal derivatives
    • Substituents
  • fatty acyl
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • carboxylic acid
  • heterocyclic fatty acid
  • fatty acid
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • pyrrolidine carboxylic acid
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • hemithioaminal
  • organopnictogen compound
  • medium-chain fatty acid
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • n-alkylpyrrolidine
  • pyrrolothiazole
  • dialkylthioether
  • carboxamide group
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound
  • thiazolidine