| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:04 UTC |
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| Update Date | 2025-03-21 18:02:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036293 |
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| Frequency | 97.5 |
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| Structure | |
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| Chemical Formula | C22H48N2O5P+ |
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| Molecular Mass | 451.3295 |
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| SMILES | CCCCCCCCCCCCC=CC(O)C(N)COP(=O)(O)OCC[N+](C)(C)C |
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| InChI Key | AAERQLSYRRXFMA-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 | aliphatic acyclic compounds |
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| Alternative Parents | aminesdialkyl phosphateshydrocarbon derivativesmonoalkylaminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphosphoethanolaminessecondary alcoholstetraalkylammonium salts |
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| Substituents | alcoholaliphatic acyclic compoundtetraalkylammonium saltphosphocholinedialkyl phosphatephosphoethanolamineorganic oxideorganic oxygen compoundphosphoric acid estersecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic cationorganic saltorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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