Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:30:09 UTC |
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Update Date | 2025-03-21 18:41:27 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00134378 |
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Frequency | 18.7 |
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Structure | |
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Chemical Formula | C24H40N5O9+ |
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Molecular Mass | 542.2821 |
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SMILES | NC(CCCC[n+]1cc(O)c(CC(N)C(=O)O)c(CCCC(N)C(=O)O)c1CCCC(N)C(=O)O)C(=O)O |
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InChI Key | YRDUHHZZYJYZIW-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 acidsazacyclic compoundscarbonyl 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 amine2-halopyridineorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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