| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:32 UTC |
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| Update Date | 2025-03-21 18:36:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109211 |
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| Frequency | 24.5 |
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| Structure | |
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| Chemical Formula | C9H15N2O13P3 |
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| Molecular Mass | 451.9787 |
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| SMILES | O=c1ncccn1C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1 |
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| InChI Key | LLYNJCAHXVJDDL-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 deoxyribonucleotides |
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| Direct Parent | pyrimidine 2'-deoxyribonucleoside triphosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphatemonosaccharidepyrimidonepyrimidinepyrimidine 2'-deoxyribonucleoside triphosphatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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