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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:02:13 UTC
Update Date2025-03-24 20:34:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01494774
Frequency0.9
Structure
Chemical FormulaC30H52N2O28S3
Molecular Mass984.1869
SMILESCC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(COS(=O)(=O)O)OC(OC2C(C)C(OC3OC(CO)C(O)C(O)C3O)C(NC(C)=O)C(COS(=O)(=O)O)C2O)C1O
InChI KeyCAQDPQUEGCBRLS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclitols and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • organic sulfuric acid or derivatives
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester