Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:49:48 UTC
Update Date2025-03-24 14:36:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00890024
Frequency1.6
Structure
Chemical FormulaC7H13N
Molecular Mass111.1048
SMILESCN1CC=CCCC1
InChI KeyQNJGVZNQDUIEMU-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
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • azepine
  • azacycle
  • aliphatic heteromonocyclic compound
  • tertiary aliphatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine