Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:42:00 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 | DMID02160201 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C15H25N4O11P |
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Molecular Mass | 468.1257 |
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SMILES | Nc1ccn(C2CC(O)C(COP(=O)(O)OCC3OC(O)C(N)C(O)C3O)O2)c(=O)n1 |
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InChI Key | WMDZHRVLLLPHDX-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 phosphateshemiacetalsheteroaromatic compoundshexose phosphateshydrocarbon derivativesimidolactamsmonoalkylaminesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatespyrimidonessecondary alcoholstetrahydrofurans |
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Substituents | aromatic heteromonocyclic compoundpentose phosphatemonosaccharidepyrimidonepyrimidinepyrimidine 2'-deoxyribonucleoside monophosphatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycledialkyl phosphateorganic oxygen compoundphosphoric acid estersecondary alcoholhexose phosphatehydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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