Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:31:13 UTC
Update Date2025-03-24 14:27:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00845870
Frequency1.7
Structure
Chemical FormulaC5H7NOS
Molecular Mass129.0248
SMILESCSc1ccc(N)o1
InChI KeyNCMUQVUCDVBGDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent aryl thioethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkylarylthioethers
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • sulfenyl compounds
  • Substituents
  • furan
  • sulfenyl compound
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • alkylarylthioether
  • aryl thioether
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organoheterocyclic compound
  • organooxygen compound