| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:07 UTC |
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| Update Date | 2025-03-25 00:51:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185573 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15N5O8P2S2 |
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| Molecular Mass | 458.9837 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(O)(=S)S)C(O)C1OP(=O)(O)O |
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| InChI Key | IVHYIQFARIYKSS-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 | pentose phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphosphorodithioic acid o-monoestersprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphateimidazopyrimidinedithiophosphate o-esterpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganic dithiophosphateorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphorodithioic acid o-monoesterphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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