| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:00:39 UTC |
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| Update Date | 2025-03-21 22:03:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00486679 |
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| Frequency | 3.5 |
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| Structure | |
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| Chemical Formula | C29H36N12O17P2 |
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| Molecular Mass | 886.1797 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(OCC2OC(n3ccc(=O)[nH]c3=O)CC2O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O |
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| InChI Key | VHORCZFDAVGSFN-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 diphosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside monophosphatespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidinepyrimidinesaccharideorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacycledialkyl phosphateorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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