Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:40 UTC
Update Date2025-03-25 00:45:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150354
Frequency0.5
Structure
Chemical FormulaC16H33NO3S
Molecular Mass319.2181
SMILESCCCCCCC=CCCCCCCNCCS(=O)(=O)O
InChI KeyKXXRMOIVEQGIDQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfonic acids and derivatives
Subclass organosulfonic acids and derivatives
Direct Parent organosulfonic acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • sulfonyls
  • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • organosulfonic acid
  • secondary amine
  • organosulfur compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine