Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:12:20 UTC
Update Date2025-03-24 20:39:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01519713
Frequency0.8
Structure
Chemical FormulaC4H7NO3
Molecular Mass117.0426
SMILESCNC(O)=CC(=O)O
InChI KeyOVJIFGQQHOGIAC-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
  • alkanolamines
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • vinylogous acids
  • Substituents
  • vinylogous amide
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • secondary amine
  • carboxylic acid derivative
  • vinylogous acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine
  • alkanolamine