| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:19 UTC |
|---|
| Update Date | 2025-03-21 18:28:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00074876 |
|---|
| Frequency | 39.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H22N4O6 |
|---|
| Molecular Mass | 426.1539 |
|---|
| SMILES | O=C(O)CCC(NC(=O)c1ccc(NCC2NC(=O)c3ccccc3N2)cc1)C(=O)O |
|---|
| InChI Key | OXJBDYDQIKJNEL-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 acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdiazanaphthalenesdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativeslactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalkylaminesquinazolinessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidamino acidbenzoylbenzamideorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineamineorganooxygen compound |
|---|
