| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:46:43 UTC |
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| Update Date | 2025-03-25 01:34:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02447941 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H39N4O29P5 |
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| Molecular Mass | 1014.0388 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(OP(=O)(O)OP(=O)(O)OCC4OC(n5ccc(=O)[nH]c5=O)C(O)C4O)C(O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | PSHIMVGYMSXWKV-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 diphosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesn-substituted nicotinamidesnicotinamide nucleotidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouplactamaromatic heteromonocyclic compoundpentose phosphatenicotinamidemonosaccharidepentose-5-phosphatepyrimidonenicotinamide-nucleotidecarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compounddihydropyridineorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarboxamide grouporganic pyrophosphaten-substituted nicotinamideoxacyclepyrimidine ribonucleoside diphosphateorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundenamine |
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