| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:40 UTC |
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| Update Date | 2025-03-25 00:47:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161679 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H28N6O14P2 |
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| Molecular Mass | 602.1139 |
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| SMILES | NCC1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C(O)C1O |
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| InChI Key | ZQMUQSHEFUVYLW-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 | monosaccharides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkyl ethersheteroaromatic compoundshexose phosphateshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonoalkylaminesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | etherpentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinedialkyl etherpyrimidineorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatehydrocarbon derivativepurineprimary aliphatic amineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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