| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:07 UTC |
|---|
| Update Date | 2025-03-25 00:59:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02238108 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H20N2O6 |
|---|
| Molecular Mass | 324.1321 |
|---|
| SMILES | O=C(O)CC(NC(=O)NCCCC(O)c1ccccc1)C(=O)O |
|---|
| InChI Key | IWILFMJJCUZQGJ-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 | aspartic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsaromatic alcoholscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylbutylaminessecondary alcohols |
|---|
| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidorganic oxidephenylbutylaminen-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholcarbonic acid derivativen-carbamoyl-alpha-amino acidaromatic homomonocyclic compoundorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
