| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:54 UTC |
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| Update Date | 2025-03-21 18:05:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057159 |
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| Frequency | 55.6 |
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| Structure | |
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| Chemical Formula | C19H31N4O9+ |
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| Molecular Mass | 459.2086 |
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| SMILES | NC(CCC(O)C[n+]1cc(O)c(CC(N)C(=O)O)c(CCC(N)C(O)C(=O)O)c1)C(=O)O |
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| InChI Key | DNQGYOIJFFUUPN-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativesalpha-amino acid or derivativessaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinehydroxy acidbeta amino acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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