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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:18 UTC
Update Date2025-03-25 00:46:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156471
Frequency0.5
Structure
Chemical FormulaC11H17NO9PS+
Molecular Mass370.0356
SMILESCc1c(CC(=O)O)sc[n+]1C1OC(COP(=O)(O)O)C(O)C1O
InChI KeyCDCSEFICFWUKPR-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 4,5-disubstituted thiazoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • pentose-5-phosphate
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organoheterocyclic compound
  • azole
  • 1,2-diol
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • 4,5-disubstituted 1,3-thiazole
  • oxacycle
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • thiazole
  • organic phosphoric acid derivative
  • alkyl phosphate