Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:39:55 UTC
Update Date2025-03-21 18:48:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00157088
Frequency15.3
Structure
Chemical FormulaC4H7NO2
Molecular Mass101.0477
SMILESCNC=CC(=O)O
InChI KeyBSIFHEUIVGOUJY-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
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • vinylogous amide
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • secondary amine
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine