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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:09 UTC
Update Date2025-03-25 00:46:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153877
Frequency0.5
Structure
Chemical FormulaC7H15N3OS2
Molecular Mass221.0657
SMILESCS(=O)CCCCNC(N)N=C=S
InChI KeyUUFPURGFANXRPE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorthocarboxylic acid derivatives
Subclass orthocarboxylic acid derivatives
Direct Parent orthocarboxylic acid derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • imines
  • isothiocyanates
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • ortho amides
  • propargyl-type 1,3-dipolar organic compounds
  • sulfinyl compounds
  • sulfoxides
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • isothiocyanate
  • ortho amide
  • imine
  • organic 1,3-dipolar compound
  • secondary amine
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • orthocarboxylic acid derivative
  • amine