Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:38:08 UTC
Update Date2025-03-21 21:54:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00433785
Frequency4.1
Structure
Chemical FormulaC5H7NO2+
Molecular Mass113.0471
SMILESO=C(O)C1=[N+]CCC1
InChI KeyFNDQXMWQVCNUPY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • imine
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • pyrroline
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound