| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:31:48 UTC |
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| Update Date | 2025-03-25 00:43:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02136815 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C28H42N4O22P3+ |
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| Molecular Mass | 879.1498 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(COP(=O)(O)OCC4OC([n+]5cccc(C(N)=O)c5)C(O)C4O)C(O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | HSPQMOHRMZBEDW-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 acids and derivativesdialkyl ethersdialkyl phosphatesdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesn-substituted nicotinamidesorganic cationsorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupetheraromatic heteromonocyclic compoundpentose phosphatenicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotidecarboxylic acid derivativedialkyl ethersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationdihydropyridineorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide grouporganic pyrophosphaten-substituted nicotinamideoxacycledialkyl phosphatepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundenamine |
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