Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:59:49 UTC
Update Date2025-03-21 23:02:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00626874
Frequency2.6
Structure
Chemical FormulaC5H9NO2+
Molecular Mass115.0628
SMILESC[N+](C)C=CC(=O)O
InChI KeyPZULUSVCHCOWOJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous amides
Subclass vinylogous amides
Direct Parent vinylogous amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • vinylogous amide
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound