| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:11 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201672 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H47N4O12+ |
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| Molecular Mass | 631.3185 |
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| SMILES | Cc1c(CCOC2OC(CO)C(O)C(O)C2O)c(CCC(N)C(=O)O)c(CCC(N)C(=O)O)c[n+]1CCCCC(N)C(=O)O |
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| InChI Key | QKGIIEHPIQSFKU-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-halopyridinesacetalsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinesprimary alcoholssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinemonosaccharidetricarboxylic acid or derivativessaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationoxaneprimary alcoholorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridineoxacyclepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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