| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:11 UTC |
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| Update Date | 2025-03-21 18:05:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057862 |
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| Frequency | 54.8 |
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| Structure | |
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| Chemical Formula | C12H17N2O12P |
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| Molecular Mass | 412.0519 |
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| SMILES | O=C(O)C(CO)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O |
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| InChI Key | DQUBGCCECFGNPD-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 monophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary alcoholspyrimidonessecondary alcoholssugar acids and derivativestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphatepyrimidonecarboxylic acid derivativepyrimidinebeta-hydroxy acidsaccharideorganic oxideglyceric_acidorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundhydroxy acidoxacycledialkyl phosphatepyrimidine ribonucleoside monophosphatemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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