| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 16:34:51 UTC |
|---|
| Update Date | 2025-03-25 01:29:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02420010 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C51H72N16O15S3 |
|---|
| Molecular Mass | 1244.4525 |
|---|
| SMILES | N=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC(=N)O)NC(=O)C(CC(=N)O)NC1=O |
|---|
| InChI Key | NWZMWRGNMPSEPR-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 benzenoidsalpha amino acid amidesalpha amino acidsarginine and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarbothioic s-lactonescarboximidamidescarboximidic acidscarboxylic acidscyclic peptidesguanidineshydrocarbon derivativesimineslactamsmacrolactamsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic disulfidesorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amidesthioestersthiolactones |
|---|
| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundguanidineiminen-acylpyrrolidine1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativemacrolactamorganic oxidearginine or derivativestertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinethiolactoneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativescarbothioic s-lactoneproline or derivativesthiocarboxylic acid or derivativespolypeptidealpha-amino acid amideazacyclen-acyl-alpha-amino acidthiocarboxylic acid estercarboximidamidecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundcyclic alpha peptideorganic disulfidephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
|---|
