| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:41 UTC |
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| Update Date | 2025-03-25 00:55:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02212173 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H42NO2+ |
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| Molecular Mass | 340.321 |
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| SMILES | CCCCCCCCCCCCCC=CC(=O)C(O)C[N+](C)(C)C |
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| InChI Key | XMWFFVMEWWNTPF-UHFFFAOYSA-N |
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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 | cholines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsacyloinsalpha-hydroxy ketonesaminesbeta-amino ketonesenoneshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketonealpha-hydroxy ketoneketoneorganic oxideorganopnictogen compoundorganic cationbeta-aminoketoneorganic saltenonealcoholtetraalkylammonium saltorganic oxygen compoundcholineacyloinsecondary alcoholhydrocarbon derivativeacryloyl-groupamineorganooxygen compound |
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