| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:17 UTC |
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| Update Date | 2025-03-25 00:52:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192731 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H42NO5+ |
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| Molecular Mass | 388.3058 |
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| SMILES | CCCCCCCCCCCC(CC(=O)O)OC(=O)CC(O)C[N+](C)(C)C |
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| InChI Key | JRAQZMJDCTWVOW-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 | 1,2-aminoalcoholsaminesamino fatty acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscholinesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativeshydroxy fatty acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic cationorganic saltalcoholtetraalkylammonium salt1,2-aminoalcoholquaternary ammonium salthydroxy acidamino fatty acidfatty acid esterorganic oxygen compoundcholinecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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