| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:28 UTC |
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| Update Date | 2025-03-21 18:33:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096741 |
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| Frequency | 28.6 |
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| Structure | |
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| Chemical Formula | C13H21N3O15P2 |
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| Molecular Mass | 521.0448 |
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| SMILES | Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(=O)O)C(O)C2O)c(=O)n1 |
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| InChI Key | RYJMMNBWPQBUSC-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 derivativesamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphateamino acid or derivativesamino acidalpha-hydroxy acidmonosaccharidepentose-5-phosphatepyrimidonecarboxylic acid derivativepyrimidinebeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundhydroxy acidorganic pyrophosphateoxacyclemonocarboxylic acid or derivativespyrimidine ribonucleoside diphosphateorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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