| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:02 UTC |
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| Update Date | 2025-03-21 18:30:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083840 |
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| Frequency | 34.3 |
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| Structure | |
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| Chemical Formula | C23H38N5O7+ |
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| Molecular Mass | 496.2766 |
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| SMILES | NC(=O)CCc1cc(CCC(N)C(=O)O)c[n+](CCCCC(N)C(=O)O)c1CCCC(N)C(=O)O |
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| InChI Key | UPVHWUAKQPFYRK-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 | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinefatty amidetricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecarboxamide grouppyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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