| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:40 UTC |
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| Update Date | 2025-03-21 18:37:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116828 |
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| Frequency | 22.5 |
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| Structure | |
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| Chemical Formula | C22H29N3O16P2+2 |
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| Molecular Mass | 653.1012 |
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| SMILES | NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC([n+]4cccc(C(=O)O)c4)C(O)C3O)C(O)C2O)c1 |
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| InChI Key | XRHLBISBVXXNDS-UHFFFAOYSA-P |
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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 | nicotinic acid nucleotides |
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| Direct Parent | nicotinic acid nucleotides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespyridine-3-carboxylic acidssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundpentose phosphatepyridine-3-carboxylic acidnicotinamidemonosaccharidepentose-5-phosphatecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupnicotinic-acid-nucleotideorganic pyrophosphateoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyridine carboxylic acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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