| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:48 UTC |
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| Update Date | 2025-03-25 00:50:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180340 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H27N5O9P+ |
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| Molecular Mass | 452.1541 |
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| SMILES | C[N+](C)(C)CCOP(=O)(O)OCC(O)C(O)C(O)Cn1cnc2[nH]c(=O)[nH]c(=O)c21 |
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| InChI Key | WSAXFWNULPKOMD-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | quaternary ammonium salts |
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| Direct Parent | phosphocholines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aminesazacyclic compoundsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-substituted imidazolesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspurinonespyrimidonessecondary alcoholstetraalkylammonium saltsvinylogous amides |
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| Substituents | lactampyrimidoneimidazopyrimidinepurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amidecarbonic acid derivativetetraalkylammonium saltazacycleheteroaromatic compoundphosphocholinedialkyl phosphateorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativepurineorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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