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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:27 UTC
Update Date2025-03-25 00:45:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149830
Frequency0.5
Structure
Chemical FormulaC12H20N2O12S
Molecular Mass416.0737
SMILESCC(=O)NC1C(O)OC(COS(=O)(=O)O)C(OC(=O)CC(N)C(=O)O)C1O
InChI KeyHQCCZWLCQGRNPZ-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
  • acetamides
  • alkyl sulfates
  • alpha amino acids
  • aspartic acid and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hemiacetals
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monoalkylamines
  • 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
  • sulfuric acid monoesters
    • Substituents
  • fatty acyl
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • heterocyclic fatty acid
  • monosaccharide
  • alpha-amino acid or derivatives
  • 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
  • acetamide
  • alcohol
  • organic sulfuric acid or derivatives
  • carboxamide group
  • acylaminosugar
  • oxacycle
  • secondary carboxylic acid amide
  • fatty acid ester
  • sulfated fatty acid
  • carboxylic acid ester
  • aspartic acid or derivatives
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • sulfate-ester
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • sulfuric acid ester
  • saccharolipid