| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:08 UTC |
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| Update Date | 2025-03-25 00:49:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174180 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H50NO4+ |
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| Molecular Mass | 440.3734 |
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| SMILES | CCCCCCCCC=CCCCCCCCC(CCC(=O)O)OC(=O)C[N+](C)(C)C |
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| InChI Key | BFDWITLUZHBIIG-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 | alpha amino acid estersalpha amino acidsaminesamino fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganic cationorganic salttetraalkylammonium saltalpha-amino acid esterquaternary ammonium saltamino fatty acidorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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