| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:53 UTC |
|---|
| Update Date | 2025-03-25 00:46:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153208 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H31N7O6S2 |
|---|
| Molecular Mass | 553.1777 |
|---|
| SMILES | NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(N)CSSCC(C(=O)NCC(N)=O)NC1=O |
|---|
| InChI Key | JZHBRTGMFUUCMI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic polymers |
|---|
| Class | polypeptides |
|---|
| Subclass | polypeptides |
|---|
| Direct Parent | polypeptides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativescyclic peptidesfatty amideshydrocarbon derivativeslactamsmonoalkylaminesn-acyl-alpha amino acidsorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amides |
|---|
| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundfatty amidealpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativespolypeptideazacyclen-acyl-alpha-amino acidcarboxamide groupn-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundcyclic alpha peptideorganic disulfidehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
