| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:51 UTC |
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| Update Date | 2025-03-25 00:51:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184960 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N2O10P2+ |
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| Molecular Mass | 397.0196 |
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| SMILES | N#Cc1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c1 |
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| InChI Key | LBPJUFJASRIZAS-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 | 1,2-diols3-pyridinecarbonitrilesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesnitrilesorganic cationsorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatessecondary alcoholstetrahydrofurans |
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| Substituents | nitrilearomatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphatesaccharideorganic oxide3-pyridinecarbonitrileorganonitrogen compoundorganopnictogen compoundorganic cationcarbonitrileorganoheterocyclic compound1,2-diolpyridine nucleotidealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineorganic pyrophosphateoxacyclepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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