| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:15 UTC |
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| Update Date | 2025-03-25 00:53:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199525 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H34N5O5+ |
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| Molecular Mass | 424.2554 |
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| SMILES | NC(=O)C(N)CCc1ccc(CCCC(N)C(=O)O)[n+](CCCCC(N)C(=O)O)c1 |
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| InChI Key | XYFYODIPUWEYCM-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-halopyridinesamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty amidesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesmedium-chain fatty acidsmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidpolyhalopyridinefatty amidefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid2-halopyridineorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupamino fatty acidpyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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