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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:42 UTC
Update Date2025-03-25 00:57:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225958
Frequency0.5
Structure
Chemical FormulaC7H17N3O3S
Molecular Mass223.0991
SMILESCC(=O)NCCCNCCS(N)(=O)=O
InChI KeyFFISLBQQCOMLFV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfonic acids and derivatives
Subclass organic sulfonamides
Direct Parent organic sulfonamides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • aminosulfonyl compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • secondary carboxylic acid amides
  • Substituents
  • aliphatic acyclic compound
  • organosulfonic acid or derivatives
  • carbonyl group
  • amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • secondary aliphatic amine
  • aminosulfonyl compound
  • secondary amine
  • carboxamide group
  • secondary carboxylic acid amide
  • sulfonyl
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic sulfonic acid amide
  • organooxygen compound
  • amine