| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:37 UTC |
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| Update Date | 2025-03-21 18:34:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099552 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C8H18NO3+ |
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| Molecular Mass | 176.1281 |
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| SMILES | CC(=O)OCC(O)C[N+](C)(C)C |
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| InChI Key | VERMKOZWXOMZCI-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 | 1,2-aminoalcoholsaminescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl grouptetraalkylammonium salt1,2-aminoalcoholcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcholinecarboxylic acid estersecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltamineorganooxygen compound |
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