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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:31:32 UTC
Update Date2025-03-24 20:47:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01566312
Frequency0.8
Structure
Chemical FormulaC7H13N2O+
Molecular Mass141.1022
SMILESC[N+]1(C)C=C(C(N)=O)CC1
InChI KeyURDOVAFOVFGHAG-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • primary carboxylic acid amides
  • quaternary ammonium salts
    • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • azacycle
  • quaternary ammonium salt
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound