| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:35 UTC |
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| Update Date | 2025-03-25 00:47:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159297 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20N5O7PS |
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| Molecular Mass | 433.0821 |
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| SMILES | O=P(O)(O)OCC1OC(n2cnc3c(N4CCSCC4)ncnc32)C(O)C1O |
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| InChI Key | ZHMIRHRWPQTASF-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-diolsaminopyrimidines and derivativesazacyclic compoundsdialkylarylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespurines and purine derivativessecondary alcoholstetrahydrofuransthiomorpholines |
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| Substituents | pentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compounddialkylarylamineimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcohol1,4-thiazinaneazacycletetrahydrofurandialkylthioetherheteroaromatic compoundaminopyrimidineoxacycleorganic oxygen compoundphosphoric acid esterthioethermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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