| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:10 UTC |
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| Update Date | 2025-03-21 18:36:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108338 |
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| Frequency | 24.8 |
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| Structure | |
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| Chemical Formula | C23H35N4O10+ |
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| Molecular Mass | 527.2348 |
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| SMILES | NC(CCCC[n+]1cc(CCC(N)C(=O)O)c(CC(C(=O)O)C(=O)O)c(CCC(N)C(=O)O)c1)C(=O)O |
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| InChI Key | TWLPKKHEJCFPEG-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 | pentacarboxylic acids and derivatives |
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| Direct Parent | pentacarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinealpha-amino acid or derivativespentacarboxylic acid or derivativesorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic cation1,3-dicarbonyl compoundorganoheterocyclic compoundorganooxygen compound |
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