| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:29:54 UTC |
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| Update Date | 2025-03-24 22:05:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01990484 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C22H41N7O22P4 |
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| Molecular Mass | 879.1255 |
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| SMILES | NCCOP(=O)(O)OP(=O)(O)OCC1OC(CO)C(O)C(OC2OC(n3cnc4c(N)ncnc43)C(C(O)CO)C2OP(=O)(O)OP(=O)(O)OCCN)C1O |
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| InChI Key | BSCCFQTUVSDHKC-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 | hexose phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonoalkylaminesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsoxanesphosphoethanolaminesprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativesribonucleoside 3'-phosphatessecondary alcoholstetrahydrofurans |
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| Substituents | etherimidazopyrimidinedialkyl etherpyrimidinephosphoethanolamineorganic oxideacetalaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazoleribonucleoside 3'-phosphatealcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatehydrocarbon derivativeprimary aliphatic amineprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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