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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:56 UTC
Update Date2025-03-25 00:51:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185153
Frequency0.5
Structure
Chemical FormulaC14H26N2O2S2
Molecular Mass318.1436
SMILESNC(=O)CCCCCNC(=O)CCCCC1CCSS1
InChI KeyIQTAMBNOVSWLOI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdithiolanes
Subclass lipoamides
Direct Parent lipoamides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-dithiolanes
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acyl amines
  • organic disulfides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • secondary carboxylic acid amides
    • Substituents
  • primary carboxylic acid amide
  • fatty acyl
  • carbonyl group
  • fatty amide
  • carboxamide group
  • carboxylic acid derivative
  • n-acyl-amine
  • 1,2-dithiolane
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organic disulfide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • lipoamide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound