| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:01:54 UTC |
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| Update Date | 2025-03-24 19:51:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01062020 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C46H64N12O13S2 |
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| Molecular Mass | 1056.4157 |
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| SMILES | N=C(O)CC1NC(=O)C(CCCCC(=O)O)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)O)NC1=O |
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| InChI Key | JLEJLWVZYWEMDU-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 acidsarginine and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboximidic acidscarboxylic acidscyclic peptidesdicarboxylic acids and derivativesguanidinesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimineslactamsmacrolactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic disulfidesorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | carboximidic acidmonocyclic 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 disulfidedicarboxylic acid or derivativesphenolhydrocarbon derivativeprimary aliphatic aminepyrrolidine-2-carboxamidefatty acylcarbonyl grouparomatic heteromonocyclic compoundheterocyclic fatty acidguanidineiminen-acylpyrrolidine1-hydroxy-2-unsubstituted benzenoidfatty acidcarboxylic acid derivativeorganic oxidearginine or derivativestertiary carboxylic acid amideorganopnictogen compoundmedium-chain fatty acidpyrrolidineproline or derivativescarboximidamidecarboxamide grouporganic oxygen compoundcyclic alpha peptidebenzenoidorganic nitrogen compoundorganooxygen compound |
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