| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:43 UTC |
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| Update Date | 2025-03-21 18:33:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094910 |
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| Frequency | 29.3 |
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| Structure | |
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| Chemical Formula | C16H25N2O16P2+ |
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| Molecular Mass | 563.0674 |
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| SMILES | NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OC3OC(O)C(O)C(O)C3O)C(O)C2O)c1 |
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| InChI Key | JGRLWDGGLXZOQN-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | pyridine nucleotides |
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| Subclass | pyridine nucleotides |
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| Direct Parent | pyridine nucleotides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativeshemiacetalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpentose phosphatenicotinamidemonosaccharidepentose-5-phosphatecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetalorganic cationoxaneorganoheterocyclic compoundpyridine nucleotidealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide grouporganic pyrophosphateoxacyclepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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