| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:55:07 UTC |
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| Update Date | 2025-03-25 01:37:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02467450 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H31N4O27P5 |
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| Molecular Mass | 925.9864 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4c(C(=O)O)cc(=O)[nH]c4=O)C(O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | PNMGWOIWXALCFX-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 ribonucleotides |
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| Direct Parent | pyrimidine ribonucleoside polyphosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-substituted nicotinamidesnicotinamide nucleotidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespyrimidinecarboxylic acidspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatenicotinamidepyrimidine ribonucleoside polyphosphatemonosaccharidepentose-5-phosphatepyrimidonenicotinamide-nucleotidecarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compounddihydropyridinepyrimidine-6-carboxylic acidorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupn-substituted nicotinamideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundenamine |
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