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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:04 UTC
Update Date2025-03-25 00:49:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176354
Frequency0.5
Structure
Chemical FormulaC8H21N3OS
Molecular Mass207.1405
SMILESNCCCCNCCCCS(N)=O
InChI KeyDNDJARINLRNDOC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classsulfinic acids and derivatives
Subclass sulfinic acid amides
Direct Parent sulfinic acid amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aminosulfinyl compounds
  • dialkylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • sulfinic acid amide
  • secondary amine
  • organosulfur compound
  • aminosulfinyl compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • amine