| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:08 UTC |
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| Update Date | 2025-03-21 18:34:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100834 |
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| Frequency | 27.1 |
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| Structure | |
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| Chemical Formula | C13H28NO3+ |
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| Molecular Mass | 246.2064 |
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| SMILES | CCCCCC(O)CC(=O)OCC[N+](C)(C)C |
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| InChI Key | NVIOVTIPAYTUCI-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 | aminesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganopnictogen compoundorganic cationorganic saltalcoholtetraalkylammonium salthydroxy acidfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholacyl cholinehydrocarbon derivativeamineorganooxygen compound |
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