| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:56:05 UTC |
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| Update Date | 2025-03-21 18:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00195163 |
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| Frequency | 11.6 |
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| Structure | |
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| Chemical Formula | C15H29N3O27P6 |
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| Molecular Mass | 868.9414 |
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| SMILES | Nc1ccn(C2CC(O)C(COP(=O)(O)OC3C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C3OP(=O)(O)O)O2)c(=O)n1 |
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| InChI Key | QPWCRARDOWMNLJ-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 monophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativesimidolactamsinositol phosphatesmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphatemonosaccharidepyrimidoneinositol phosphatepyrimidinepyrimidine 2'-deoxyribonucleoside monophosphatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcyclitol or derivativesoxacycledialkyl phosphateorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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