| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:22 UTC |
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| Update Date | 2025-03-21 18:37:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113664 |
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| Frequency | 23.3 |
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| Structure | |
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| Chemical Formula | C28H51N2O3+ |
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| Molecular Mass | 463.3894 |
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| SMILES | CCCCCC=CCC=CCC=CCCCCCCCC(=O)NCC(=O)OCC[N+](C)(C)C |
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| InChI Key | NLNROKDWBDFGSH-UHFFFAOYSA-O |
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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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl cholinesalpha amino acid estersalpha amino acidsaminescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltalpha-amino acid esterquaternary ammonium saltcarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteracyl cholinehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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