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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:28 UTC
Update Date2025-03-25 00:49:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177301
Frequency0.5
Structure
Chemical FormulaC8H17NO16S3
Molecular Mass478.9709
SMILESCOC1OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C(O)C(NOS(=O)(=O)O)C1O
InChI KeySXSMXEWGLMGPIR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl sulfates
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • alcohol
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • oxepane
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound