| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:24 UTC |
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| Update Date | 2025-03-21 18:37:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116155 |
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| Frequency | 22.6 |
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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 | C[N+](C)(C)CCOC(=O)CCO |
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| InChI Key | FYTBRGQTPHGWHL-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 | acyl cholines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolsaminesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl grouptetraalkylammonium salthydroxy acidcarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteracyl cholineorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltamineorganooxygen compound |
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