| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:47 UTC |
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| Update Date | 2025-03-21 18:40:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128915 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C20H29N4O16P2+ |
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| Molecular Mass | 643.1048 |
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| SMILES | NC(=O)c1ccc[n+](C2OC(CO[PH](O)(O)O[PH](=O)(=O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C(O)C2O)c1 |
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| InChI Key | UDFFJCRKYBHJSD-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 | pyrimidine nucleosides |
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| Subclass | pyrimidine nucleosides |
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| Direct Parent | pyrimidine nucleosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonosaccharidesnicotinamidesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganic phosphoric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespyridinecarboxylic acids and derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativeslactamaromatic heteromonocyclic compoundnicotinamidemonosaccharidepyrimidonecarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundpyrimidine nucleosideorganic cationorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacyclepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeorganooxygen compound |
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