| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:55 UTC |
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| Update Date | 2025-03-25 00:47:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160010 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N3O10P |
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| Molecular Mass | 353.026 |
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| SMILES | O=c1[nH]c(=O)n(C2CC(O)C(COP(=O)(O)O)O2)cc1[N+](=O)[O-] |
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| InChI Key | LVLPVLNNXRTCHP-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 compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesnitroaromatic compoundsorganic carbonic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundpentose phosphateallyl-type 1,3-dipolar organic compoundmonosaccharidepyrimidoneorganic nitro compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundpyrimidine 2'-deoxyribonucleoside monophosphatesaccharideorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumorganoheterocyclic compoundnitroaromatic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic 1,3-dipolar compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundorganic hyponitrite |
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