| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:20 UTC |
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| Update Date | 2025-03-25 00:51:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188390 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H41N4O8+ |
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| Molecular Mass | 525.2919 |
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| SMILES | CC(O)C(=O)CCc1cc(CCC(N)C(=O)O)c(CCCC(N)C(=O)O)[n+](CCCCC(N)C(=O)O)c1 |
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| InChI Key | IODIWXVQTWSWPC-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 acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacyloinsalpha-hydroxy ketonesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkylaminesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinemonosaccharidetricarboxylic acid or derivativesalpha-hydroxy ketoneketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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