| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:23 UTC |
|---|
| Update Date | 2025-03-25 00:46:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02154412 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C36H46N8O9S2 |
|---|
| Molecular Mass | 798.2829 |
|---|
| SMILES | CC(=O)NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(N)=O)C(=O)N1 |
|---|
| InChI Key | SSGOWVDIKNNUFJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic polymers |
|---|
| Class | polypeptides |
|---|
| Subclass | polypeptides |
|---|
| Direct Parent | polypeptides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesalpha amino acid amidesalpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativescyclic peptidesdicarboximidesfatty amideshydrocarbon derivativeslactamsmacrolactamsmonoalkylaminesn-acylpyrrolidinesn-unsubstituted carboxylic acid imidesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidesproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amides |
|---|
| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundfatty amiden-acylpyrrolidine1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativemacrolactamcarboxylic acid imide, n-unsubstitutedorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximidepyrrolidineorganoheterocyclic compoundacetamideproline or derivativespolypeptidealpha-amino acid amideazacyclecarboxamide groupcarboxylic acid imidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundcyclic alpha peptideorganic disulfidephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
|---|
