Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:58 UTC
Update Date2025-03-25 00:48:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166992
Frequency0.5
Structure
Chemical FormulaC6H7NOS
Molecular Mass141.0248
SMILESCC(=O)c1ncc(C)s1
InChI KeyZGOBPVBSAXXNES-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent thiazolecarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2,5-disubstituted thiazoles
  • aryl alkyl ketones
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • 2,5-disubstituted 1,3-thiazole
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • thiazolecarboxylic acid or derivatives
  • ketone
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • aryl ketone