| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:03 UTC |
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| Update Date | 2025-03-25 00:52:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192215 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C36H70N2O6P+ |
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| Molecular Mass | 657.4966 |
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| SMILES | CCCCCCCC=CCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(=O)C=CCCCCCCCCC |
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| InChI Key | BCDSOAGTGAJJEW-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 | acryloyl compoundsaminescarboxylic acids and derivativesdialkyl phosphatesenoneshydrocarbon derivativesketonesn-acyl aminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphosphoethanolaminessecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amidealpha,beta-unsaturated ketonecarboxylic acid derivativeketonephosphoethanolamineorganic oxideorganopnictogen compoundorganic cationorganic saltenonetetraalkylammonium saltcarboxamide groupn-acyl-aminephosphocholinesecondary carboxylic acid amidedialkyl phosphateorganic oxygen compoundphosphoric acid esterhydrocarbon derivativeacryloyl-grouporganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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