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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:04 UTC
Update Date2025-03-25 00:53:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199111
Frequency0.5
Structure
Chemical FormulaC8H15N3OS2
Molecular Mass233.0657
SMILESNC(N)=NC(=O)CCCC1CCSS1
InChI KeyWKVKHMJJZYLCHL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdithiolanes
Subclass 1,2-dithiolanes
Direct Parent 1,2-dithiolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • guanidines
  • hydrocarbon derivatives
  • n-acylimines
  • organic disulfides
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • n-acylimine
  • carbonyl group
  • guanidine
  • organic 1,3-dipolar compound
  • carboximidamide
  • carboxylic acid derivative
  • 1,2-dithiolane
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organic disulfide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound