| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:41 UTC |
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| Update Date | 2025-03-21 17:58:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016870 |
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| Frequency | 252.1 |
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| Structure | |
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| Chemical Formula | C16H24N3O7+ |
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| Molecular Mass | 370.1609 |
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| SMILES | NC(CCCC[n+]1cc(O)c(C(=O)O)c(CCC(N)C(=O)O)c1)C(=O)O |
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| InChI Key | ZUJJQFCSBFYBFW-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 | 1-carboxy-2-haloaromatic compoundsazacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acidstricarboxylic acids and derivativesvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinetricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinevinylogous acidpyridineorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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