| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:45 UTC |
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| Update Date | 2025-03-25 00:54:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207523 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13BrN3O7P |
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| Molecular Mass | 384.9674 |
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| SMILES | Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2Br)c(=O)n1 |
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| InChI Key | PRVRWTAGZYZRGJ-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 | alkyl bromidesazacyclic compoundsbromohydrinsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganobromidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphatepyrimidoneorganohalogen compoundpyrimidinepyrimidine 2'-deoxyribonucleoside monophosphatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranhalohydrinheteroaromatic compoundalkyl bromideoxacycleorganic oxygen compoundbromohydrinphosphoric acid estermonoalkyl phosphatesecondary alcoholorganobromidehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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