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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:11 UTC
Update Date2025-03-25 00:54:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206236
Frequency0.5
Structure
Chemical FormulaC12H22N2O11S2
Molecular Mass434.0665
SMILESNC(CCSCC(=O)NC1C(O)OC(COS(=O)(=O)O)C(O)C1O)C(=O)O
InChI KeySOXSLBSWEMFPTE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent acylaminosugars
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl sulfates
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • hemiacetals
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • saccharolipids
  • secondary alcohols
  • secondary carboxylic acid amides
  • short-chain hydroxy acids and derivatives
  • sulfated fatty acids
  • sulfenyl compounds
  • sulfuric acid monoesters
  • thia fatty acids
    • Substituents
  • fatty acyl
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • heterocyclic fatty acid
  • monosaccharide
  • fatty acid
  • alpha-amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • organic oxide
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hemiacetal
  • hydroxy fatty acid
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • organic sulfuric acid or derivatives
  • sulfenyl compound
  • dialkylthioether
  • carboxamide group
  • acylaminosugar
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • thia fatty acid
  • sulfated fatty acid
  • thioether
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • sulfuric acid ester
  • saccharolipid