| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:27:54 UTC |
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| Update Date | 2025-03-24 22:05:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01985658 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C44H61N11O13S2 |
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| Molecular Mass | 1015.3892 |
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| SMILES | N=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CC(O)CC2C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=N)O)NC1=O |
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| InChI Key | NHBACYDNICUFOP-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboximidic acidscarboxylic acidscyclic peptidesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslactamsmacrolactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary alcoholssecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | fatty acylcarboximidic acidmonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidn-acylpyrrolidine1-hydroxy-2-unsubstituted benzenoidfatty acidalpha-amino acid or derivativesmacrolactammedium-chain hydroxy acidorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalcoholalpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundcyclic alpha peptideorganic disulfidesecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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