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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:37 UTC
Update Date2025-03-25 00:59:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239224
Frequency0.5
Structure
Chemical FormulaC9H17NO7PS+
Molecular Mass314.0458
SMILESO=P(O)(O)OCCc1sc[n+](CC(O)CO)c1CO
InChI KeyOFHMYPXWXLRSOW-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 4,5-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • 4,5-disubstituted 1,3-thiazole
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • primary alcohol
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound