| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:33 UTC |
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| Update Date | 2025-03-21 17:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018775 |
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| Frequency | 219.7 |
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| Structure | |
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| Chemical Formula | C11H16N3O8P |
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| Molecular Mass | 349.0675 |
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| SMILES | CC(=O)Nc1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)n1 |
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| InChI Key | XWBMWUOTRBZJHV-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 | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesn-acetylarylaminesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidonessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupn-acetylarylaminearomatic heteromonocyclic compoundpentose phosphatemonosaccharidepyrimidonen-arylamidecarboxylic acid derivativepyrimidinepyrimidine 2'-deoxyribonucleoside monophosphatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundacetamidealcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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