Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:34 UTC
Update Date2025-03-25 01:01:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248406
Frequency0.5
Structure
Chemical FormulaC7H9N
Molecular Mass107.0735
SMILESN#CC1(C2CC2)CC1
InChI KeyWDMQFEMOIVICBE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass organic cyanides
Direct Parent nitriles
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • nitrile
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • carbonitrile