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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:38 UTC
Update Date2025-03-25 00:47:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163888
Frequency0.5
Structure
Chemical FormulaC19H27NO11S
Molecular Mass477.1305
SMILESCC(=O)NC1C(OC(=O)CCC(O)Cc2ccccc2)OC(COS(=O)(=O)O)C(O)C1O
InChI KeyWBFMDNBNWXOPPM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-acyl-alpha-hexosamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • alkyl sulfates
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • fatty acyl glycosides of mono- and disaccharides
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • fatty acyl
  • fatty acyl glycoside of mono- or disaccharide
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • aromatic heteromonocyclic compound
  • monosaccharide
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • organic oxide
  • acetal
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • organic sulfuric acid or derivatives
  • fatty acyl glycoside
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester