| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:23 UTC |
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| Update Date | 2025-03-21 18:34:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099005 |
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| Frequency | 27.8 |
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| Structure | |
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| Chemical Formula | C25H42N5O8+ |
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| Molecular Mass | 540.3028 |
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| SMILES | NC(CCc1cc(CCC(N)C(=O)O)c[n+](CCCCC(N)C(=O)O)c1CCCC(N)C(=O)O)CC(=O)O |
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| InChI Key | RGUYHKSKAUEUNB-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 compoundsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinetetracarboxylic acid or derivativesbeta amino acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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