Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:47 UTC
Update Date2025-03-21 18:04:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00050030
Frequency65.8
Structure
Chemical FormulaC4H4N2O2S
Molecular Mass143.9993
SMILESNc1nc(C(=O)O)cs1
InChI KeyFCLDUALXSYSMFB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent thiazolecarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2,4-disubstituted thiazoles
  • amino acids
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • Substituents
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • amino acid or derivatives
  • amino acid
  • heteroaromatic compound
  • carboxylic acid derivative
  • thiazolecarboxylic acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2,4-disubstituted 1,3-thiazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound