| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:10 UTC |
|---|
| Update Date | 2025-03-21 18:35:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00105856 |
|---|
| Frequency | 25.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H17ClN2O5 |
|---|
| Molecular Mass | 328.0826 |
|---|
| SMILES | NC(Cc1ccc(O)c(Cl)c1)C(=O)N1CC(O)CC1C(=O)O |
|---|
| InChI Key | GYLQREWWFAVCLQ-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 | dipeptides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsamphetamines and derivativesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidineso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidssecondary alcoholstertiary carboxylic acid amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganochloriden-acylpyrrolidine1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganohalogen compoundorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesaryl chloride2-chlorophenolchlorobenzeneproline or derivativesalcoholalpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboxamide grouparyl halidealpha-dipeptide2-halophenolmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
