Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:13:05 UTC
Update Date2025-03-21 19:07:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00234444
Frequency9.1
Structure
Chemical FormulaC4H8N2
Molecular Mass84.0687
SMILESNC1C=NCC1
InChI KeyQBTMFNWVWHZIRK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • imines
  • monoalkylamines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound