| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:42 UTC |
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| Update Date | 2025-03-25 00:55:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02212246 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H53N2O7+ |
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| Molecular Mass | 517.3847 |
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| SMILES | CCCCCCCCCC=CC(=O)OC(CC(=O)NCCOCCOCCOCCO)C[N+](C)(C)C |
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| InChI Key | AGTIJEQDZLRPME-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolsaminescarbonyl compoundsdialkyl ethersenoate estershydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupetherfatty amidecarboxylic acid derivativedialkyl etheralpha,beta-unsaturated carboxylic esterorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltenoate esteralcoholtetraalkylammonium saltquaternary ammonium saltcarboxamide groupn-acyl-aminesecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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