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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:40 UTC
Update Date2025-03-25 00:45:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150360
Frequency0.5
Structure
Chemical FormulaC12H21NO4S
Molecular Mass275.1191
SMILESCOC(=O)CCCCC1N2CCCC2CS1(=O)=O
InChI KeyPTIFYVZPJUAXSO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolothiazoles
Subclass pyrrolothiazoles
Direct Parent pyrrolothiazoles
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • fatty acid methyl esters
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • sulfones
  • thiazolidines
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • methyl ester
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • azacycle
  • n-alkylpyrrolidine
  • pyrrolothiazole
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • fatty acid methyl ester
  • organic oxygen compound
  • pyrrole
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • sulfone
  • thiazolidine