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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:23 UTC
Update Date2025-03-25 00:53:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202130
Frequency0.5
Structure
Chemical FormulaC9H23N3OS
Molecular Mass221.1562
SMILESCS(=O)CCNCCCNCCCN
InChI KeyPAVFGLYSBXIHBP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classsulfoxides
Subclass sulfoxides
Direct Parent sulfoxides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • sulfinyl compounds
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • amine