| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:24 UTC |
|---|
| Update Date | 2025-03-25 00:49:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02177158 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H15NO4 |
|---|
| Molecular Mass | 249.1001 |
|---|
| SMILES | O=C(O)C1CCC(C(=O)OCc2ccccc2)N1 |
|---|
| InChI Key | WHUWRZDNDFDBDS-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 | alpha amino acid esters |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzyloxycarbonylscarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acids |
|---|
| Substituents | benzyloxycarbonylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic aminealpha-amino acid esterazacyclesecondary aminepyrrolidine carboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
|---|
