Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:01:44 UTC
Update Date2025-03-21 18:06:58 UTC
HMDB IDHMDB0002016
Metabolite Identification
DeepMet IDDMID00066279
Name4-Carboxyphenylglycine
Frequency46.1
Structure
Chemical FormulaC9H9NO4
Molecular Mass195.0532
SMILESNC(C(=O)O)c1ccc(C(=O)O)cc1
InChI KeyVTMJKPGFERYGJF-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 aromatic homomonocyclic compounds
Alternative Parents
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • benzoyl
  • benzoic acid or derivatives
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • benzoic acid
  • organooxygen compound