| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:30 UTC |
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| Update Date | 2025-03-21 18:39:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125866 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C23H36N5O10+ |
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| Molecular Mass | 542.2457 |
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| SMILES | NC(CCCC[n+]1cc(O)c(CC(NC(=O)CCC(N)C(=O)O)C(=O)O)c(CCC(N)C(=O)O)c1)C(=O)O |
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| InChI Key | JFWUEPVPPPMSKS-UHFFFAOYSA-O |
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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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsglutamine and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amidestetracarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglutamine or derivativesaromatic heteromonocyclic compoundpolyhalopyridinefatty amidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinetetracarboxylic acid or derivativescarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidepyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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