| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:33 UTC |
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| Update Date | 2025-03-25 00:49:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175156 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H27NO5P+ |
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| Molecular Mass | 308.1621 |
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| SMILES | CCCCC=CC(=O)COP(=O)(O)OCC[N+](C)(C)C |
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| InChI Key | GPKBDEMFTYXUCE-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 derivativesketonesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl grouptetraalkylammonium saltalpha,beta-unsaturated ketonephosphocholineketonedialkyl phosphateorganic oxideorganic oxygen compoundphosphoric acid esterorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic cationorganic saltorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compoundenone |
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