| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:41 UTC |
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| Update Date | 2025-03-25 00:51:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184578 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H35N4O10+ |
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| Molecular Mass | 515.2348 |
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| SMILES | NC(CCCc1c(CCC(N)C(=O)O)cc(CC(N)C(=O)O)c[n+]1C1OC(CO)C(O)C1O)C(=O)O |
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| InChI Key | XMMPOOMRFQRGCQ-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 | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinemonosaccharidetricarboxylic acid or derivativessaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationprimary alcoholorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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