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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:08:29 UTC
Update Date2025-03-24 21:02:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01654268
Frequency0.8
Structure
Chemical FormulaC3H2Cl2N2
Molecular Mass135.9595
SMILESClC1=NC(Cl)=NC1
InChI KeyLXJOPFSMVRPFGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent imidazoles
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • organochloride
  • organic 1,3-dipolar compound
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • imidazole
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound