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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:45:24 UTC
Update Date2025-03-21 18:49:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00170291
Frequency13.8
Structure
Chemical FormulaC7H13N
Molecular Mass111.1048
SMILESCC1=NCCCCC1
InChI KeyJRAPIKAFUUWTMV-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
  • ketimines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • azepine
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound