| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:27 UTC |
|---|
| Update Date | 2025-03-21 18:38:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00123382 |
|---|
| Frequency | 20.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H24N4O6S2 |
|---|
| Molecular Mass | 444.1137 |
|---|
| SMILES | NC(CSSCC(NC(=O)C(N)Cc1ccccc1)C(=O)NCC(=O)O)C(=O)O |
|---|
| InChI Key | ADTHUTZCDNEUEL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic polymers |
|---|
| Class | polypeptides |
|---|
| Subclass | polypeptides |
|---|
| Direct Parent | polypeptides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acyl glycinesalpha amino acid amidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesdicarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspeptidesphenylalanine and derivativessecondary carboxylic acid amidessulfenyl compounds |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativealpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativespolypeptidesulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acylglycinen-substituted-alpha-amino acidaromatic homomonocyclic compoundsecondary carboxylic acid amidedialkyldisulfidephenylalanine or derivativesorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
