| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:32 UTC |
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| Update Date | 2025-03-25 00:59:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234513 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H28NO2S+ |
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| Molecular Mass | 262.1835 |
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| SMILES | C[N+](C)(C)CCOC(=O)CCCCCCCS |
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| InChI Key | NUKYRKHVKIWAMK-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 | acyl cholines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsaminescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsorganosulfur compoundstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouptetraalkylammonium saltorganosulfur compoundcarboxylic acid derivativefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteracyl cholineorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltaminealkylthiolorganooxygen compound |
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