| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:37:24 UTC |
|---|
| Update Date | 2025-03-21 17:57:41 UTC |
|---|
| HMDB ID | HMDB0240628 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00009421 |
|---|
| Name | 1-Carboxyethylphenylalanine |
|---|
| Frequency | 512.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO4 |
|---|
| Molecular Mass | 237.1001 |
|---|
| SMILES | CC(NC(Cc1ccccc1)C(=O)O)C(=O)O |
|---|
| InChI Key | MSBSJGQKNVMMQB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | phenylalanine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alanine and derivativesalpha amino acidsamino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acids |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
|---|
