Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:12:29 UTC
Update Date2025-03-24 22:37:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01233936
Frequency1.1
Structure
Chemical FormulaC8H13NO
Molecular Mass139.0997
SMILESCC(C=O)=CC1CCCN1
InChI KeyMBYIRTNQWGPVAF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidines
Direct Parent pyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • aldehydes
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • azacycle
  • aldehyde
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organooxygen compound
  • amine