| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:33:29 UTC |
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| Update Date | 2025-03-24 21:41:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01857014 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C46H64N10O10S2 |
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| Molecular Mass | 980.4248 |
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| SMILES | CC(C)CC1NC(=O)C2CSSCC(N)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(Cc3ccccc3)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N2CCCC2CCCN2C1=O |
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| InChI Key | NUXPVDYRABSDFL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | oligopeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativescyclic peptidesfatty amideshydrocarbon derivativeslactamsmacrolactamsmonoalkylaminesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrolidinessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl grouplactamfatty amide1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesmacrolactamorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundcyclic alpha peptideorganic disulfidephenolhydrocarbon derivativebenzenoidprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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