| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:03 UTC |
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| Update Date | 2025-03-21 18:38:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120110 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C19H28N3O9+ |
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| Molecular Mass | 442.182 |
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| SMILES | NC(CCCC[n+]1cc(O)c(CC(N)C(=O)O)c(CCC(C(=O)O)C(=O)O)c1)C(=O)O |
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| InChI Key | RPSRVWVBZOSJFO-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 | 1,3-dicarbonyl compoundsalpha amino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinetetracarboxylic acid or derivativesalpha-amino 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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