| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:37:04 UTC |
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| Update Date | 2025-03-24 13:59:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00715515 |
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| Frequency | 2.2 |
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| Structure | |
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| Chemical Formula | C23H35N9O18P5S+ |
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| Molecular Mass | 912.0503 |
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| SMILES | Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3CP(=O)(O)O)c2C)c(N)n1 |
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| InChI Key | ISGVQCZOSQEPLW-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | thiamine phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesn-substituted imidazolesorganic cationsorganic oxidesorganic phosphonic acids and derivativesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurines and purine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphateimidazopyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundorganic cationimidolactamorganophosphonic acid derivativethiamine-phosphateazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compound4,5-disubstituted 1,3-thiazoleoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundthiazoleorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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