| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:53 UTC |
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| Update Date | 2025-03-21 18:39:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126775 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C14H22N2O17P2 |
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| Molecular Mass | 552.0394 |
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| SMILES | O=C(O)C(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O |
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| InChI Key | RGDJORFSWABYPK-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 | alpha hydroxy acids and derivativesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatealpha-hydroxy acidmonosaccharidepentose-5-phosphatepyrimidonecarboxylic acid derivativepyrimidinebeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundhydroxy acidorganic pyrophosphateoxacyclemonocarboxylic acid or derivativespyrimidine ribonucleoside diphosphateorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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