| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:58 UTC |
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| Update Date | 2025-03-21 18:07:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066858 |
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| Frequency | 45.6 |
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| Structure | |
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| Chemical Formula | C18H27N6O18P3 |
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| Molecular Mass | 708.0595 |
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| SMILES | Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)C(O)C3O)C(O)C2O)c(=O)n1 |
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| InChI Key | BLKWPRIQABUSAQ-UHFFFAOYSA-N |
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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 triphosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | pyrimidine ribonucleoside triphosphatearomatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphatepyrimidonepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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