Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:55:24 UTC
Update Date2025-03-25 00:30:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02051163
Frequency0.6
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESCN(C)C=C(C=O)C(=O)O
InChI KeyRNUDKWKZUCDPIJ-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
  • aldehydes
  • amino acids
  • carboxylic acids
  • enamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • vinylogous amide
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • tertiary aliphatic amine
  • aldehyde
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound
  • enamine