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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:18:53 UTC
Update Date2025-03-24 21:07:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01679408
Frequency0.7
Structure
Chemical FormulaC29H51NO28S2
Molecular Mass925.2039
SMILESCC(=O)NC1C(O)CC(OCC2C(O)C(O)C(O)C(OC3C(CO)OC(OC4C(O)C(O)OC(COS(=O)(=O)O)C4O)OC3COS(=O)(=O)O)C2O)OC1C(O)C(O)CO
InChI KeyIFDQOAANMDHELT-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
  • 1,3-dioxanes
  • acetals
  • acetamides
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acid orthoesters
  • carboxylic acids and derivatives
  • cyclitols and derivatives
  • dialkyl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • ortho ester
  • monosaccharide
  • carboxylic acid orthoester
  • carboxylic acid derivative
  • dialkyl ether
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • orthocarboxylic acid derivative
  • 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
  • meta-dioxane