Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:18 UTC
Update Date2025-03-21 18:07:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00067627
Frequency44.9
Structure
Chemical FormulaC4H8NO2+
Molecular Mass102.055
SMILESC[N+](C)=CC(=O)O
InChI KeyZPYLUKZXQUHJJT-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass alpha-imino acid and derivatives
Direct Parent alpha-imino acids
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
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha-imino acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound