| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:27:54 UTC |
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| Update Date | 2025-03-25 01:03:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02265010 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C46H57N9O9S2 |
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| Molecular Mass | 943.3721 |
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| SMILES | NCCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O |
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| InChI Key | PQQVZKNFNAEMTH-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 peptidesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsindoleslactamsmacrolactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolespyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidindolen-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 compoundn-acyl-alpha amino acid or derivativesproline or derivativespolypeptidealpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundcyclic alpha peptideorganic disulfidepyrrolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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