| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:57 UTC |
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| Update Date | 2025-03-21 18:35:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105333 |
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| Frequency | 25.7 |
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| Structure | |
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| Chemical Formula | C21H27N4O18P2+ |
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| Molecular Mass | 685.079 |
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| SMILES | NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4c(C(=O)O)cc(=O)[nH]c4=O)C(O)C3O)C(O)C2O)c1 |
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| InChI Key | GRRLRGDYCDJGSZ-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 nucleotides |
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| Subclass | pyrimidine ribonucleotides |
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| Direct Parent | pyrimidine ribonucleoside diphosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesnicotinamidesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespyridine nucleotidespyridinecarboxylic acids and derivativespyrimidinecarboxylic acidspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativeslactamcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatenicotinamidemonosaccharidepentose-5-phosphatepyrimidonecarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationpyrimidine-6-carboxylic acidorganoheterocyclic compoundpyridine nucleotidealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide grouporganic pyrophosphateoxacyclemonocarboxylic acid or derivativespyrimidine ribonucleoside diphosphatepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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