| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:09 UTC |
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| Update Date | 2025-03-21 18:02:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036529 |
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| Frequency | 96.8 |
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| Structure | |
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| Chemical Formula | C11H16N2O9P+ |
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| Molecular Mass | 351.0588 |
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| SMILES | NC(=O)c1ccc[n+](C2OC(O)(COP(=O)(O)O)C(O)C2O)c1 |
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| InChI Key | CWRJXNCUCDZMKG-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarboxylic acids and derivativeshemiacetalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpentose phosphatenicotinamidepentose-5-phosphatecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetalorganic cationorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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