Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:20:59 UTC
Update Date2025-03-25 00:15:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01254615
Frequency1.1
Structure
Chemical FormulaC4H7NO3
Molecular Mass117.0426
SMILESCOC=C(N)C(=O)O
InChI KeyAEFAYHXDSKZKCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • vinylogous esters
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • vinylogous ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound