| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:54 UTC |
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| Update Date | 2025-03-21 18:29:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078792 |
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| Frequency | 37.1 |
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| Structure | |
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| Chemical Formula | C11H15Cl2N5O10P2 |
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| Molecular Mass | 508.9671 |
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| SMILES | Nc1nc2c(ncn2C2OC(COP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | CDGXUPDFJWSUPM-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 derivativeshypoxanthinesimidazoleslactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganochloridesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundsphosphonic acid estersprimary aminespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamalkyl chlorideorganochloridepurine ribonucleoside monophosphatemonosaccharidepyrimidoneimidazopyrimidineorganohalogen compoundpyrimidinephosphonic acid estersaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundalkyl halideorganophosphonic acid derivativeorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholvinylogous amidebisphosphonateazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhypoxanthinehydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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