| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:10 UTC |
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| Update Date | 2025-03-21 18:37:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118034 |
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| Frequency | 22.2 |
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| Structure | |
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| Chemical Formula | C18H29N4O8+ |
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| Molecular Mass | 429.198 |
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| SMILES | NC(CCC(O)C(=O)O)C[n+]1cc(O)c(CC(N)C(=O)O)c(CCC(N)C(=O)O)c1 |
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| InChI Key | DJHVRDZUBGHKCK-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 | delta 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 compounddelta amino acid or derivativesorganic cationorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinehydroxy acidpyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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