| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:52 UTC |
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| Update Date | 2025-03-25 00:54:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207818 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N5O12P2 |
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| Molecular Mass | 473.0349 |
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| SMILES | Nc1ncnc2c1ncn2C1OOC(C(O)COP(=O)(O)OP(=O)(O)O)C(O)C1O |
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| InChI Key | NDQVIJYUEKABRT-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 heteropolycyclic compounds |
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| Alternative Parents | 1,2-dioxanesazacyclic compoundsdialkyl peroxidesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcohols |
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| Substituents | imidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoledialkyl peroxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycleheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeamineortho-dioxanealkyl phosphateorganooxygen compound |
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