| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:26 UTC |
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| Update Date | 2025-03-25 00:48:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170282 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H44NO3+ |
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| Molecular Mass | 358.3316 |
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| SMILES | CCCCCCCCCCCCCCOC(=O)CC(O)C[N+](C)(C)C |
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| InChI Key | BVJWXVXWIYEHBH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsaminescarbonyl compoundscarboxylic acid esterscholinesfatty 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 oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltalcoholtetraalkylammonium salt1,2-aminoalcoholquaternary ammonium saltfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcholinecarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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