Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:49:22 UTC
Update Date2025-03-24 17:59:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01032724
Frequency1.4
Structure
Chemical FormulaC8H11NO
Molecular Mass137.0841
SMILESCN1CCC2=C1CCC2=O
InChI KeyLPAUUBZMMRKGCR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • enamines
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • carbonyl group
  • azacycle
  • tertiary aliphatic amine
  • ketone
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound
  • enamine