Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:53 UTC
Update Date2025-03-21 18:41:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136080
Frequency18.4
Structure
Chemical FormulaC5H5NO2S
Molecular Mass143.0041
SMILESNc1ccsc1C(=O)O
InChI KeyCQSJDKGNONPQOQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiophenes
Subclass thiophene carboxylic acids and derivatives
Direct Parent thiophene carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • thiophene carboxylic acid
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound