| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:02 UTC |
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| Update Date | 2025-03-25 00:59:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240167 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H37N6O8+ |
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| Molecular Mass | 513.2667 |
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| SMILES | NC(CCNC(=O)C(N)CCCC[n+]1cc(O)c(CC(N)C(=O)O)c(CCC(N)C(=O)O)c1)C(=O)O |
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| InChI Key | MAJWHVZYVPFHDG-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesn-acyl aminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinefatty amidetricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundalpha-amino acid amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupn-acyl-aminesecondary carboxylic acid amidepyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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