| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:25 UTC |
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| Update Date | 2025-03-21 18:36:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108951 |
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| Frequency | 24.6 |
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| Structure | |
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| Chemical Formula | C14H25N3O8P+ |
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| Molecular Mass | 394.1374 |
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| SMILES | C[N+](C)(C)CCOP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)CC1O |
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| InChI Key | ITINGCUBUHXLKP-UHFFFAOYSA-O |
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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 | aminesazacyclic compoundsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsoxacyclic compoundspentose phosphatesphosphocholinespyrimidonessecondary alcoholstetraalkylammonium saltstetrahydrofuransvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundpentose phosphatemonosaccharidepyrimidonepyrimidinepyrimidine 2'-deoxyribonucleoside monophosphatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativetetraalkylammonium saltazacycletetrahydrofuranquaternary ammonium saltheteroaromatic compoundphosphocholineoxacycledialkyl phosphateorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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