| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:50 UTC |
|---|
| Update Date | 2025-03-25 00:49:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02175826 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H22N2O7 |
|---|
| Molecular Mass | 366.1427 |
|---|
| SMILES | NC(CCc1ccccc1CC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O |
|---|
| InChI Key | WQEJNFIAGOYTDA-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 | glutamic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amidestricarboxylic acids and derivatives |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidn-acyl-alpha-amino acidtricarboxylic acid or derivativesglutamic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenylacetamideorganooxygen compoundn-acyl-alpha amino acid or derivatives |
|---|
