Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:42 UTC
Update Date2025-03-25 00:51:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186976
Frequency0.5
Structure
Chemical FormulaC9H17NO5S
Molecular Mass251.0827
SMILESNS(=O)(=O)OCC1COC2(CCCCC2)O1
InChI KeyJYZZRDGUJNYJEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • hydrocarbon derivatives
  • organic nitrogen compounds
  • organic oxides
  • organic sulfuric acids and derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • meta-dioxolane
  • organic sulfuric acid or derivatives
  • oxacycle
  • organic oxide
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound