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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:20 UTC
Update Date2025-03-21 18:04:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00048936
Frequency67.5
Structure
Chemical FormulaC7H16NO6S+
Molecular Mass242.0693
SMILESC[N+](C)(C)CC(CC(=O)O)OS(=O)(=O)O
InChI KeyHTLKVLPYYQCQCA-UHFFFAOYSA-O
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
  • amines
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • short-chain hydroxy acids and derivatives
  • sulfuric acid monoesters
  • tetraalkylammonium salts
    • Substituents
  • aliphatic acyclic compound
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • carboxylic acid derivative
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • organic sulfuric acid or derivatives
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • sulfated fatty acid
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • amine
  • organooxygen compound