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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:34 UTC
Update Date2025-03-21 18:37:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00114132
Frequency23.2
Structure
Chemical FormulaC9H16NO3S+
Molecular Mass218.0845
SMILESCc1c(CCO)sc[n+]1CC(O)CO
InChI KeyGJLYPGDZSXBJLJ-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • 4,5-disubstituted 1,3-thiazole
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • primary alcohol
  • organooxygen compound