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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:10 UTC
Update Date2025-03-25 00:46:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156171
Frequency0.5
Structure
Chemical FormulaC15H20N2O6PS+
Molecular Mass387.0774
SMILESCc1c(CCOP(=O)(O)O)sc[n+]1Cc1ccc(C(C)C(=O)O)nc1
InChI KeyOQPBBFUWZLDBLI-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • 4,5-disubstituted thiazoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic cation
  • azole
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • 4,5-disubstituted 1,3-thiazole
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • hydrocarbon derivative
  • organic nitrogen compound
  • thiazole
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound