| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:36:13 UTC |
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| Update Date | 2025-03-24 21:42:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01863529 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C15H30N2O34P8 |
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| Molecular Mass | 1029.8581 |
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| SMILES | O=c1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=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)[nH]1 |
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| InChI Key | CQTJCLHHCFNUCY-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 derivativesinositol phosphateslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundpentose phosphatemonosaccharidepyrimidoneinositol phosphatepyrimidinepyrimidine 2'-deoxyribonucleoside triphosphatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcyclitol or derivativesoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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