| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:25 UTC |
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| Update Date | 2025-03-21 18:06:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063143 |
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| Frequency | 49.0 |
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| Structure | |
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| Chemical Formula | C13H19N5O14P2 |
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| Molecular Mass | 531.0404 |
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| SMILES | Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OCC(O)C(=O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | UBONPDGCIQEDRL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | sugar acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidpentose phosphateamino acid or derivativesamino acidpurine ribonucleoside monophosphatealpha-hydroxy acidmonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidinecarboxylic acid derivativepyrimidineorganic oxidepurine ribonucleoside diphosphateglyceric_acidaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxy acidorganic pyrophosphateoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhypoxanthinehydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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