| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:35 UTC |
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| Update Date | 2025-03-25 00:57:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225703 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H27N2O4+ |
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| Molecular Mass | 263.1965 |
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| SMILES | CC(C)(CO)C(O)C(=O)NCC(O)C[N+](C)(C)C |
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| InChI Key | ZXMAPVASRCLMPL-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 | cholines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsaminescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesn-acyl aminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amidemonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganopnictogen compoundorganic cationorganic saltalcoholtetraalkylammonium salt1,2-aminoalcoholcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundcholinesecondary alcoholhydrocarbon derivativeamineorganooxygen compound |
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