| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:10 UTC |
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| Update Date | 2025-03-25 00:56:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217896 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H39N4O10+ |
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| Molecular Mass | 555.2661 |
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| SMILES | NC(CCCC[n+]1cc(CCC(=O)C(O)C(=O)O)cc(CCC(N)C(=O)O)c1CCCC(N)C(=O)O)C(=O)O |
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| InChI Key | KCZFAGATXHJNIX-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 compounds2-halopyridinesacyloinsalpha amino acidsalpha hydroxy acids and derivativesalpha-hydroxy ketonesazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealpha-hydroxy acidmonosaccharidealpha-amino acid or derivativesalpha-hydroxy ketonebeta-keto acidketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinetetracarboxylic acid or derivativeshydroxy acidpyridineorganic oxygen compoundketo acidacyloinsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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