| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:30:11 UTC |
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| Update Date | 2025-03-21 22:20:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00556795 |
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| Frequency | 3.0 |
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| Structure | |
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| Chemical Formula | C44H61N11O12S2 |
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| Molecular Mass | 999.3943 |
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| SMILES | NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NCCCCC(N)C(=O)O)NC(=O)C(CC(N)=O)NC1=O |
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| InChI Key | ABMUJJZCTBKTQK-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 compoundscarboxylic acidscyclic peptidesfatty amidesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslactamsmacrolactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acylpyrrolidinesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidesproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty amiden-acylpyrrolidine1-hydroxy-2-unsubstituted benzenoidfatty acidalpha-amino acid or derivativescarboxylic acid derivativemacrolactammedium-chain hydroxy acidorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidpyrrolidineorganoheterocyclic compoundproline or derivativespolypeptidealpha-amino acid amideazacyclecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundcyclic alpha peptideorganic disulfidephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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