| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:12:57 UTC |
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| Update Date | 2025-03-25 01:20:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02368740 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C55H80N16O14S2 |
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| Molecular Mass | 1252.5481 |
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| SMILES | N=C(N)NCCCC(NC(=O)C1CCCN1C(=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)N1CCCC1C(=O)NC(CCCCN)C(=O)O |
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| InChI Key | SDBUPXQUIOMGLV-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 compoundscarboximidamidescarboxylic acidscyclic peptidesfatty amidesguanidinesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimineslactamsmacrolactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic disulfidesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidesproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietylactamcarboxylic acidalpha-amino acid or derivativesmacrolactammedium-chain hydroxy acidorganonitrogen compoundalpha-amino acidhydroxy fatty acidorganoheterocyclic compoundn-acyl-alpha amino acid or derivativespolypeptidealpha-amino acid amideazacyclen-acyl-alpha-amino acidsecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic disulfidephenolhydrocarbon derivativeprimary aliphatic aminepyrrolidine-2-carboxamideprimary carboxylic acid amidefatty acylcarbonyl grouparomatic heteromonocyclic compoundheterocyclic fatty acidguanidineiminefatty amiden-acylpyrrolidine1-hydroxy-2-unsubstituted benzenoidfatty acidcarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganopnictogen compoundmedium-chain fatty acidpyrrolidineproline or derivativescarboximidamidecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundcyclic alpha peptidebenzenoidorganic nitrogen compoundorganooxygen compound |
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