| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:50:19 UTC |
|---|
| Update Date | 2025-03-21 18:02:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00039303 |
|---|
| Frequency | 88.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H20N2O3 |
|---|
| Molecular Mass | 276.1474 |
|---|
| SMILES | COC(=O)C1CCCN1C(=O)C(N)Cc1ccccc1 |
|---|
| InChI Key | APKLHPGBTJFCPW-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 | peptides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acid amidesalpha amino acid estersalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidstertiary carboxylic acid amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundn-acylpyrrolidinealpha-amino acid or derivativesalpha peptideorganic oxidemethyl esterpyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesproline or derivativesalpha-amino acid amidealpha-amino acid esterazacyclen-acyl-alpha-amino acidcarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
