| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:53 UTC |
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| Update Date | 2025-03-21 18:29:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076242 |
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| Frequency | 38.7 |
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| Structure | |
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| Chemical Formula | C22H30N3O16P2+ |
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| Molecular Mass | 654.1096 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC([n+]4cccc(C(=O)O)c4)C(O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | XLEVGBJXQKMOJR-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 | nicotinamide nucleotides |
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| Direct Parent | nicotinamide nucleotides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-substituted nicotinamidesnicotinic acid nucleotidesorganic 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 derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatepyridine-3-carboxylic acidnicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationdihydropyridineorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupnicotinic-acid-nucleotideorganic pyrophosphaten-substituted nicotinamideoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyridine carboxylic acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundenamine |
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