| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:11:48 UTC |
|---|
| Update Date | 2025-03-21 18:32:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00090288 |
|---|
| Frequency | 31.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H22N2O5 |
|---|
| Molecular Mass | 382.1529 |
|---|
| SMILES | O=C(O)CCC(NC(=O)c1ccc(N2CCc3ccccc3C2)cc1)C(=O)O |
|---|
| InChI Key | UFXSRBUFCWTZJY-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 acidsamino acidsaminobenzamidesaniline and substituted anilinesaralkylaminesazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestetrahydroisoquinolines |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylaralkylaminebenzamideorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compounddialkylarylamineaminobenzoic acid or derivativestertiary amineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-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 |
|---|
