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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:55 UTC
Update Date2025-03-25 00:51:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189745
Frequency0.5
Structure
Chemical FormulaC11H18N4S3
Molecular Mass302.0694
SMILESC=CCSCCCSCc1csc(N=C(N)N)n1
InChI KeyPNQNSBKNLOANML-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 2,4-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • allyl sulfur compounds
  • azacyclic compounds
  • dialkylthioethers
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • sulfenyl compound
  • aromatic heteromonocyclic compound
  • azacycle
  • guanidine
  • dialkylthioether
  • heteroaromatic compound
  • allyl sulfur compound
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • thioether
  • 2,4-disubstituted 1,3-thiazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound