| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:32 UTC |
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| Update Date | 2025-03-21 18:36:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111633 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C11H19N4O7P |
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| Molecular Mass | 350.0991 |
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| SMILES | NCCOP(=O)(O)OCC1OC(n2ccc(N)nc2=O)CC1O |
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| InChI Key | XMLXEHQXCCJXTB-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 phosphatesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesphosphoethanolaminespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphatemonosaccharidepyrimidonepyrimidinepyrimidine 2'-deoxyribonucleoside monophosphatephosphoethanolaminesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycledialkyl phosphateorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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