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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:50:40 UTC
Update Date2025-03-25 01:12:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02317487
Frequency0.5
Structure
Chemical FormulaC22H38N2O29S4
Molecular Mass922.0443
SMILESCOC1OC(COS(=O)(=O)O)C(OC2OC(C(=O)O)C(O)C(OC3OC(COS(=O)(=O)O)CC(O)C3NC(C)=O)C(O)C2OS(=O)(=O)O)C(O)C1NOS(=O)(=O)O
InChI KeyOHAYUPAVVKWROK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • alkyl sulfates
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • acetamide
  • alcohol
  • organic sulfuric acid or derivatives
  • hydroxy acid
  • carboxamide group
  • oxepane
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound