| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:32 UTC |
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| Update Date | 2025-03-25 01:01:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252879 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H33N4O9+ |
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| Molecular Mass | 485.2242 |
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| SMILES | NC(CCCc1cc(CCC(N)C(=O)O)[n+](CC(O)C(=O)O)cc1CCC(N)C(=O)O)C(=O)O |
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| InChI Key | AKGAKQXCXGAPLJ-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsalpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealpha-hydroxy acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinetetracarboxylic acid or derivativeshydroxy acidpyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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