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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:04 UTC
Update Date2025-03-25 00:49:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176359
Frequency0.5
Structure
Chemical FormulaC14H20N2O4PS+
Molecular Mass343.0876
SMILESCc1c(CCOP(=O)(O)O)sc[n+]1Cc1ccccc1CN
InChI KeyQIKYHNWSCMVJCZ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 4,5-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monoalkylamines
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • 4,5-disubstituted 1,3-thiazole
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound