| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:40 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186891 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N5O7P |
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| Molecular Mass | 375.0944 |
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| SMILES | NCCOP(=O)(O)OCC1OC(n2cnc3c(=O)[nH]cnc32)CC1O |
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| InChI Key | RDXAUUPWEHYQJQ-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 compoundsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonoalkylaminesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphosphoethanolaminespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepyrimidoneimidazopyrimidinepyrimidinephosphoethanolamineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundoxacycledialkyl phosphatephosphoric acid estersecondary alcoholhypoxanthinehydrocarbon derivativeprimary aliphatic aminepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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