| 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 | DMID02185596 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19N5O10P2 |
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| Molecular Mass | 455.0607 |
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| SMILES | Nc1ncnc2c1ncn2C1CC(O)C(O)COP(=O)(O)OP(=O)(O)OCC1O |
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| InChI Key | REXQICHVKRWAAG-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 | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsn-substituted imidazolesorganic oxidesorganic phosphoric acids and derivativesorganopnictogen compoundsoxacyclic compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcohols |
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| Substituents | aromatic heteromonocyclic compoundimidazopyrimidinepyrimidineorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycleheteroaromatic compoundorganic pyrophosphateoxacyclesecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeamineorganooxygen compound |
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