| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:51 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153130 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H26N4O17P2 |
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| Molecular Mass | 644.0768 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C(O)C2O)C(=O)C1 |
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| InChI Key | CXEMOCAUEXVAHC-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 derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespyrimidonespyrrolinessecondary alcoholstertiary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouplactamaromatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphatepyrimidonecarboxylic acid derivativepyrimidinesaccharideorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarboxamide grouporganic pyrophosphateoxacyclepyrimidine ribonucleoside diphosphateorganic oxygen compoundpyrrolinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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