| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:36:13 UTC |
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| Update Date | 2025-03-21 19:58:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00288055 |
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| Frequency | 7.0 |
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| Structure | |
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| Chemical Formula | C37H49N9O12S2 |
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| Molecular Mass | 875.2942 |
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| SMILES | CC(O)C(NC(=O)C1CSSCC(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 | XSZVGBMIDMBYRJ-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 acidsazacyclic compoundsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic peptidesfatty amideshydrocarbon derivativeslactamsmacrolactamsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary alcoholssecondary carboxylic acid amides |
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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 derivativemacrolactambeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholpolypeptideazacyclen-acyl-alpha-amino acidhydroxy acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcyclic alpha peptideorganic disulfidesecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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