Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:41:10 UTC
Update Date2025-03-24 21:17:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01733087
Frequency0.7
Structure
Chemical FormulaC6H9NOS
Molecular Mass143.0405
SMILESCn1c(S)ccc1CO
InChI KeyLLCBFKQNSGVIOB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent substituted pyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-methylpyrroles
  • organonitrogen compounds
  • organopnictogen compounds
  • thiols
  • Substituents
  • aromatic alcohol
  • alcohol
  • n-methylpyrrole
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • arylthiol
  • organosulfur compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound