Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:09:57 UTC
Update Date2025-03-24 16:42:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00938394
Frequency1.5
Structure
Chemical FormulaC5H7NO2+
Molecular Mass113.0471
SMILESO=C(O)C1CCC=[N+]1
InChI KeyGZLIFOWATIXTQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • imines
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organopnictogen compounds
  • pyrroline 2-carboxylic acids
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • imine
  • pyrroline carboxylic acid or derivatives
  • pyrroline 2-carboxylic acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • pyrroline
  • organic oxygen compound
  • pyrroline carboxylic acid
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organoheterocyclic compound
  • organooxygen compound