Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:04 UTC
Update Date2025-03-25 00:57:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224612
Frequency0.5
Structure
Chemical FormulaC6H11NO6S
Molecular Mass225.0307
SMILESNS(=O)(=O)OCC12COC(CO1)CO2
InChI KeyBAOBKUJYYFQSFK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • 1,4-dioxanes
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic nitrogen compounds
  • organic oxides
  • organic sulfuric acids and derivatives
  • oxacyclic compounds
  • Substituents
  • organic sulfuric acid or derivatives
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • para-dioxane
  • ketal
  • hydrocarbon derivative
  • organic nitrogen compound
  • meta-dioxane
  • organoheterocyclic compound