| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:06 UTC |
|---|
| Update Date | 2025-03-25 01:01:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02247393 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H19N3O6 |
|---|
| Molecular Mass | 397.1274 |
|---|
| SMILES | O=C(O)CCC(NC(=O)c1ccc(N2CC(=O)Nc3ccccc32)cc1)C(=O)O |
|---|
| InChI Key | LLGZMDXXWHTWGD-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 heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidsaminobenzamidesaniline and substituted anilinesazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativeslactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestertiary alkylarylamines |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidamino acidbenzoylbenzamideorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compoundaminobenzoic acid or derivativestertiary amineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidhippuric acid or derivativesaniline or substituted anilinesbenzoic acid or derivativesglutamic acid or derivativescarboxamide groupaminobenzamidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
