| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:13 UTC |
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| Update Date | 2025-03-21 18:35:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105965 |
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| Frequency | 25.5 |
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| Structure | |
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| Chemical Formula | C11H15N2O9P |
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| Molecular Mass | 350.0515 |
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| SMILES | CC(=O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)CC1O |
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| InChI Key | XWQOQNJYTMIVPX-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 | acetate saltsacyl phosphatesazacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundpentose phosphateacetate saltmonosaccharidepyrimidonecarboxylic acid derivativepyrimidinepyrimidine 2'-deoxyribonucleoside monophosphatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic saltorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundacyl phosphate |
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