| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:57 UTC |
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| Update Date | 2025-03-21 18:37:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117532 |
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| Frequency | 22.3 |
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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(C2CC(OP(=O)(O)O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)n1 |
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| InChI Key | BJSNDVGZYILFHH-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 3',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 aminespyrimidonesribonucleoside 3'-phosphatestetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpyrimidonepyrimidinepyrimidine deoxyribonucleoside 3',5'-bisphosphateorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundribonucleoside 3'-phosphatecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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