| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:04:11 UTC |
|---|
| Update Date | 2025-03-25 00:55:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02210974 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H22N2O4 |
|---|
| Molecular Mass | 306.158 |
|---|
| SMILES | CC(=O)NC(CCCN=C(O)CCc1ccccc1)C(=O)O |
|---|
| InChI Key | NNWMPQNJHZHJJJ-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 | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
|---|
| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamiden-acyl-alpha-amino acidorganic 1,3-dipolar compoundcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
