| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:25 UTC |
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| Update Date | 2025-03-25 01:01:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252616 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H27N4O17P2+ |
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| Molecular Mass | 657.0841 |
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| SMILES | NC(=O)c1c[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C(O)C2O)ccc1O |
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| InChI Key | KBSMQQXGRIHNQW-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 ribonucleotides |
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| Direct Parent | pyrimidine ribonucleoside diphosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonoalkyl phosphatesmonosaccharidesnicotinamidesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespolyhalopyridinesprimary carboxylic acid amidespyridine nucleotidespyridinecarboxylic acids and derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous acidsvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativeslactamaromatic heteromonocyclic compoundpentose phosphatepolyhalopyridinenicotinamidemonosaccharidepentose-5-phosphatepyrimidonecarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundpyridine nucleotidealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide grouporganic pyrophosphateoxacyclevinylogous acidpyrimidine ribonucleoside diphosphatepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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