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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:15 UTC
Update Date2025-03-25 00:51:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185888
Frequency0.5
Structure
Chemical FormulaC11H15NO7S
Molecular Mass305.0569
SMILESO=C(CCC(O)Cc1ccncc1)OCOS(=O)(=O)O
InChI KeyLNPDSYMWUPPHQJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound