Hmdb loader

Showing information for DMID02222658

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:12 UTC
Update Date2025-03-25 00:57:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222658
Frequency0.5
Structure
Chemical FormulaC12H21ClO13S
Molecular Mass440.0391
SMILESO=S(=O)(O)OCC1OC(CCl)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI KeyCQEXFUSLWNUKQA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • alkyl sulfates
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • sulfuric acid monoester
  • alkyl chloride
  • organochloride
  • monosaccharide
  • organohalogen compound
  • saccharide
  • organic oxide
  • ketal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • alkyl halide
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • oxacycle
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester