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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:13:03 UTC
Update Date2025-03-21 19:07:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00234392
Frequency9.1
Structure
Chemical FormulaC6H11N
Molecular Mass97.0891
SMILESC1=NCCCCC1
InChI KeyWNHPMKYMPWMAIT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azepine
  • azacycle
  • imine
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • organic nitrogen compound
  • propargyl-type 1,3-dipolar organic compound