| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:12 UTC |
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| Update Date | 2025-03-21 18:39:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127539 |
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| Frequency | 20.0 |
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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)C(=O)OCC[N+](C)(C)C |
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| InChI Key | ATWYLUCLSXJTNK-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 | aminescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl grouptetraalkylammonium saltcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholacyl cholineorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltamineorganooxygen compound |
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