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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:47 UTC
Update Date2025-03-25 00:49:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178040
Frequency0.5
Structure
Chemical FormulaC8H9NO2S
Molecular Mass183.0354
SMILESCc1ncsc1C1CCC(=O)O1
InChI KeyLDCLRNZFFVPEPX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 4,5-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • carboxylic acid derivative
  • gamma butyrolactone
  • 4,5-disubstituted 1,3-thiazole
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound