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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:16 UTC
Update Date2025-03-25 00:45:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151770
Frequency0.5
Structure
Chemical FormulaC11H19NO12S
Molecular Mass389.0628
SMILESNC(CCC(=O)OC1OC(CO)C(OS(=O)(=O)O)C(O)C1O)C(=O)O
InChI KeyBLNYRVVKRVHQCP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acyl glycosides
Direct Parent fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl sulfates
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • glutamic acid and derivatives
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monoalkylamines
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
  • sulfated fatty acids
  • sulfuric acid monoesters
    • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • heterocyclic fatty acid
  • monosaccharide
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydroxy fatty acid
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • glutamic acid or derivatives
  • oxacycle
  • fatty acid ester
  • organic oxygen compound
  • sulfated fatty acid
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • sulfate-ester
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound