| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:19 UTC |
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| Update Date | 2025-03-25 00:57:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222935 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H28N3O9+ |
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| Molecular Mass | 442.182 |
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| SMILES | NC(CCc1c[n+](C2CC(O)C(CO)O2)cc(C(=O)O)c1CCC(N)C(=O)O)C(=O)O |
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| InChI Key | IJOFNEFPGKAMLG-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 derivativeshydroxypyridinesmonoalkylaminesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholspyridine-3-carboxylic acidssecondary alcoholstetrahydrofuranstricarboxylic acids and derivativesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridinemonosaccharidetricarboxylic acid or derivativessaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic cationprimary alcoholorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridineorganic oxygen compoundpyridine carboxylic acidsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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