| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:53 UTC |
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| Update Date | 2025-03-25 00:50:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182790 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17ClN4O17P4 |
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| Molecular Mass | 635.9228 |
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| SMILES | O=c1[nH]cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)C(O)(Cl)P(=O)(O)O)C(O)C1O |
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| InChI Key | XEJKINBXEOWFSW-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 | purine nucleotides |
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| Subclass | purine ribonucleotides |
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| Direct Parent | purine ribonucleoside monophosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl chloridesazacyclic compoundsbisphosphonatesheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganochloridesorganonitrogen compoundsorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepurine ribonucleoside monophosphatealkyl chlorideorganochloridemonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidineorganohalogen compoundpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundalkyl halideorganophosphonic acid derivativeorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholvinylogous amidebisphosphonateazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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