| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:04 UTC |
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| Update Date | 2025-03-25 00:51:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190087 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H39N4O7+ |
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| Molecular Mass | 495.2813 |
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| SMILES | CC(=O)CCc1c(CCCC(N)C(=O)O)c[n+](CCCCC(N)C(=O)O)cc1CCC(N)C(=O)O |
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| InChI Key | ALFXHMHHOSGZPA-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 | 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 compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesketonesmethylpyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinetricarboxylic acid or derivativesketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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