| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:12 UTC |
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| Update Date | 2025-03-21 18:40:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129931 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C21H44N2O5P+ |
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| Molecular Mass | 435.2982 |
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| SMILES | CCCCCCCCCCCC=CC(=O)C(N)COP(=O)(O)OCC[N+](C)(C)C |
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| InChI Key | HMIOUPIPWLRQEP-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 compoundsaminesdialkyl phosphatesenoneshydrocarbon derivativesketonesmonoalkylaminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphosphoethanolaminestetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketoneketonephosphoethanolamineorganic oxideorganopnictogen compoundorganic cationorganic saltenonetetraalkylammonium saltphosphocholinedialkyl phosphateorganic oxygen compoundphosphoric acid esterhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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