| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:58 UTC |
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| Update Date | 2025-03-25 00:46:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155752 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N5O8PS2 |
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| Molecular Mass | 441.0178 |
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| SMILES | CSSc1nc2c(=O)[nH]c(N)nc2n1C1OC(COP(=O)(O)O)C(O)C1O |
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| InChI Key | NSFJHKMFKJJZHH-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-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic disulfidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurines and purine derivativespyrimidonessecondary alcoholssulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidineorganosulfur compoundpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholvinylogous amidesulfenyl compoundazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphateorganic disulfidesecondary alcoholhypoxanthinehydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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