Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:57 UTC
Update Date2025-03-25 00:49:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171471
Frequency0.5
Structure
Chemical FormulaC11H21NO6S
Molecular Mass295.109
SMILESCN(C)S(=O)(=O)OCC12COC(C)(C)OC1CCO2
InChI KeyPTURFWRSAYAOFV-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
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • organic sulfuric acids and derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • ketal
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • meta-dioxane
  • organoheterocyclic compound