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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:31 UTC
Update Date2025-03-25 00:57:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223391
Frequency0.5
Structure
Chemical FormulaC6H13N3OS
Molecular Mass175.0779
SMILESNC(N)=NCCCCSC=O
InChI KeyAMUUYKZGOWXSMF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolactones
Subclass thiolactones
Direct Parent thiolactones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carbothioic s-esters
  • carboximidamides
  • carboxylic acids and derivatives
  • guanidines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
  • thioesters
    • Substituents
  • aliphatic acyclic compound
  • thiocarboxylic acid or derivatives
  • carbonyl group
  • sulfenyl compound
  • guanidine
  • thiocarboxylic acid ester
  • organic 1,3-dipolar compound
  • carboximidamide
  • organosulfur compound
  • carboxylic acid derivative
  • carbothioic s-ester
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • thiolactone
  • organooxygen compound