| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:56 UTC |
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| Update Date | 2025-03-25 00:56:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217358 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H45N2O6+ |
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| Molecular Mass | 445.3272 |
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| SMILES | C[N+](C)(C)C(CCC(=O)NCCO)OC(=O)CCCCCCCCCCCCC(=O)O |
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| InChI Key | APSGGNYUXDSZRX-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 acids and conjugates |
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| Direct Parent | long-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolsalkanolaminesamino fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativeshydroxy fatty acidsn-acyl aminesn-acylethanolaminesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidfatty amidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic cationorganic saltalkanolaminealcoholtetraalkylammonium saltcarboxamide groupn-acylethanolamineamino fatty acidn-acyl-aminesecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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