| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:58 UTC |
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| Update Date | 2025-03-25 00:47:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160121 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16N3O13P3 |
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| Molecular Mass | 466.9896 |
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| SMILES | Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)CC2OP(=O)(O)O)c(=O)n1 |
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| InChI Key | NSHGVBTUTCMSSE-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 deoxyribonucleoside 2',5'-bisphosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary aminespyrimidonestetrahydrofurans |
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| Substituents | pyrimidine deoxyribonucleoside 2',5'-bisphosphatearomatic heteromonocyclic compoundpyrimidonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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