| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 06:41:23 UTC |
|---|
| Update Date | 2025-03-24 17:55:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01013748 |
|---|
| Frequency | 1.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C44H54N10O10S2 |
|---|
| Molecular Mass | 946.3466 |
|---|
| SMILES | NC(=O)CNC(=O)C1CCCN(C(=O)C2CSSCC(N)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(Cc3ccccc3)C(=O)NC(CC(N)=O)C(=O)N2)C(Cc2ccccc2)C(=O)N1 |
|---|
| InChI Key | BFBDUAKCAUAQCF-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 | oligopeptides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativescyclic peptideshydrocarbon derivativeslactamsmacrolactamsmonoalkylaminesn-acyl-alpha amino acidsorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidestertiary carboxylic acid amides |
|---|
| Substituents | primary carboxylic acid amidemonocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesmacrolactamorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboxamide groupn-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundcyclic alpha peptideorganic disulfidephenolhydrocarbon derivativebenzenoidprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
|---|
