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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:24:01 UTC
Update Date2025-03-25 01:02:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02256199
Frequency0.5
Structure
Chemical FormulaC6H13N
Molecular Mass99.1048
SMILESC=NCCCCC
InChI KeyZYJMDFSUXXSPLI-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
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • imine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • propargyl-type 1,3-dipolar organic compound