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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:04:49 UTC
Update Date2025-03-25 00:33:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02073485
Frequency0.6
Structure
Chemical FormulaC7H12N2
Molecular Mass124.1
SMILESC=CCN=CNCC=C
InChI KeyVMKNJMVVBWKVPK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classpropargyl-type 1,3-dipolar organic compounds
Subclass propargyl-type 1,3-dipolar organic compounds
Direct Parent propargyl-type 1,3-dipolar organic compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboximidamides
  • formamidines
  • hydrocarbon derivatives
  • organopnictogen compounds
    • Substituents
  • formamidine
  • aliphatic acyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • amidine
  • carboximidamide
  • organic nitrogen compound
  • propargyl-type 1,3-dipolar organic compound