| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:03 UTC |
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| Update Date | 2025-03-25 00:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178645 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H40N6O6+2 |
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| Molecular Mass | 520.2998 |
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| SMILES | Cn1cc[n+](Cc2c[n+](CCCCC(N)C(=O)O)cc(CCC(N)C(=O)O)c2CCCC(N)C(=O)O)c1 |
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| InChI Key | USKUXIKWNXRAEA-UHFFFAOYSA-P |
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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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesmethylpyridinesmonoalkylaminesn-substituted imidazolesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinetricarboxylic acid or derivativesorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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