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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:03 UTC
Update Date2025-03-21 18:07:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00067062
Frequency45.4
Structure
Chemical FormulaC14H18N2O6PS+
Molecular Mass373.0618
SMILESCc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(C=O)c1O
InChI KeyHAUFVKWDWNOBCC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridinecarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • 4,5-disubstituted thiazoles
  • aryl-aldehydes
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monoalkyl phosphates
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridine carboxaldehydes
  • vinylogous acids
    • Substituents
  • pyridine carboxylic acid or derivatives
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • organic oxide
  • aryl-aldehyde
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic cation
  • azole
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • aldehyde
  • methylpyridine
  • 4-pyridine carboxaldehyde
  • 4,5-disubstituted 1,3-thiazole
  • vinylogous acid
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • hydrocarbon derivative
  • organic nitrogen compound
  • thiazole
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound