| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:31:35 UTC |
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| Update Date | 2025-03-25 00:43:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02136375 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C40H53N9O12S |
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| Molecular Mass | 883.3534 |
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| SMILES | CC(C)C(NC(=O)C1CCC(=O)SCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)O |
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| InChI Key | WYRBHKYUFAZANE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic polymers |
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| Class | polypeptides |
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| Subclass | polypeptides |
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| Direct Parent | polypeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarbothioic s-lactonescarboxylic acidscyclic peptidesfatty amideshydrocarbon derivativeslactamsmacrolactamsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidesthioestersthiolactonesvaline and derivatives |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundfatty amide1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativemacrolactamorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativescarbothioic s-lactonethiocarboxylic acid or derivativespolypeptidealpha-amino acid amideazacyclen-acyl-alpha-amino acidthiocarboxylic acid estervaline or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcyclic alpha peptidephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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