Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:39 UTC
Update Date2025-03-25 00:58:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230185
Frequency0.5
Structure
Chemical FormulaC4H11NO5S
Molecular Mass185.0358
SMILESCN(C)CC(O)OS(=O)(=O)O
InChI KeyXLZJWZZTZXXHNV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass sulfuric acid esters
Direct Parent sulfuric acid monoesters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl sulfates
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aliphatic acyclic compound
  • sulfuric acid monoester
  • tertiary aliphatic amine
  • organic oxide
  • organic oxygen compound
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound