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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:49 UTC
Update Date2025-03-25 01:02:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253507
Frequency0.5
Structure
Chemical FormulaC14H20N2OS2
Molecular Mass296.1017
SMILESNc1ccccc1NC(=O)CCCCC1CCSS1
InChI KeyUODYGDTZFLPBCQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdithiolanes
Subclass lipoamides
Direct Parent lipoamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-dithiolanes
  • amino acids and derivatives
  • anilides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • fatty amides
  • hydrocarbon derivatives
  • n-arylamides
  • organic disulfides
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • fatty amide
  • n-arylamide
  • carboxylic acid derivative
  • 1,2-dithiolane
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • carboxamide group
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • organic disulfide
  • lipoamide
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound