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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:03:25 UTC
Update Date2025-03-21 23:06:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00635315
Frequency2.5
Structure
Chemical FormulaC6H12N2
Molecular Mass112.1
SMILESNC1=NCCCCC1
InChI KeyGTLJSJNKRLFVSJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • carboximidamides
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • azepine
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam