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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:42:25 UTC
Update Date2025-03-25 01:09:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02298161
Frequency0.5
Structure
Chemical FormulaC30H53N3O35S7
Molecular Mass1239.0505
SMILESCSSOC1C(COS(=O)(=O)O)C(O)C(OC2OC(COS(=O)(=O)O)C(OC3OC(COS(=O)(=O)O)C(O)C(OC4OC(COS(=O)(=O)O)CC(O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C(O)C1NOS(=O)(=O)O
InChI KeyWIZFIYPUUYJSCG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-acyl-alpha-hexosamines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • monosaccharide
  • organosulfur compound
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • organic oxide
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • organic sulfuric acid or derivatives
  • sulfenyl compound
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester