Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:30 UTC
Update Date2025-03-25 00:59:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236720
Frequency0.5
Structure
Chemical FormulaC9H13NOS
Molecular Mass183.0718
SMILESCS(=O)CCCc1cccnc1
InChI KeyAHAYMADXXGKULJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent methylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfinyl compounds
  • sulfoxides
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • organosulfur compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound