| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:12 UTC |
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| Update Date | 2025-03-21 18:34:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100999 |
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| Frequency | 27.1 |
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| Structure | |
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| Chemical Formula | C23H37N4O10+ |
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| Molecular Mass | 529.2504 |
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| SMILES | NC(CCCC[n+]1cc(CCC(N)C(=O)O)c(CC(N)C(=O)O)c(C2OC(CO)C(O)C2O)c1)C(=O)O |
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| InChI Key | JTOIYZBRIRBEMT-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 compoundscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinemonosaccharidetricarboxylic acid or derivativesdialkyl ethersaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationprimary alcoholorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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