| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:53 UTC |
|---|
| Update Date | 2025-03-21 18:37:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00117357 |
|---|
| Frequency | 22.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H21N3O5S |
|---|
| Molecular Mass | 355.1202 |
|---|
| SMILES | NC(CSCC(N)C(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O |
|---|
| InChI Key | VWRRBORBIMPSBH-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 homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acid amidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidssecondary carboxylic acid amidessulfenyl compounds |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethercarboxamide grouparomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
