| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:52 UTC |
|---|
| Update Date | 2025-03-21 18:05:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00054741 |
|---|
| Frequency | 58.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H22N4O5 |
|---|
| Molecular Mass | 350.159 |
|---|
| SMILES | O=C(O)CCC(NC(=O)c1ccc(NCC2CNCN2)cc1)C(=O)O |
|---|
| InChI Key | KTXKRMFXPCTHJT-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 heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsaminalsamino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesimidazolidinesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amides |
|---|
| Substituents | imidazolidinemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidbenzoylaminalbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessecondary aliphatic amineazacyclen-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 compoundamineorganooxygen compound |
|---|
