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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:47 UTC
Update Date2025-03-21 18:03:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00045275
Frequency74.4
Structure
Chemical FormulaC6H10O8S
Molecular Mass242.0096
SMILESO=C(O)CCC(CC(=O)O)OS(=O)(=O)O
InChI KeyKPUAUGBKIDHWHL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent sulfated fatty acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • organic oxides
  • sulfuric acid monoesters
    • Substituents
  • aliphatic acyclic compound
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • organic sulfuric acid or derivatives
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • organic oxide
  • organic oxygen compound
  • sulfated fatty acid
  • alkyl sulfate
  • dicarboxylic acid or derivatives
  • sulfate-ester
  • hydrocarbon derivative
  • medium-chain fatty acid
  • sulfuric acid ester
  • organooxygen compound