| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:27 UTC |
|---|
| Update Date | 2025-03-21 18:37:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00116266 |
|---|
| Frequency | 22.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H34N4O8 |
|---|
| Molecular Mass | 482.2377 |
|---|
| SMILES | NC(CCCc1c(CCC(N)C(=O)O)cc(CCC(N)C(=O)O)cc1CC(N)C(=O)O)C(=O)O |
|---|
| InChI Key | DXLJUDHHCZRXGQ-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 | phenylalanine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylbutylaminesphenylpropanoic acidstetracarboxylic acids and derivatives |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidtetracarboxylic acid or derivativesaromatic homomonocyclic compoundorganic oxidephenylbutylaminephenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
|---|
