| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:20 UTC |
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| Update Date | 2025-03-25 00:58:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229524 |
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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)OC(C(O)C(O)CO)[N+](C)(C)C |
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| InChI Key | GDPBWVOXFYXAGM-UHFFFAOYSA-N |
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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 | carbonyl compoundscholinesenoate estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholstetraalkylammonium salts |
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| Substituents | enoate esteralcoholaliphatic acyclic compoundcarbonyl grouptetraalkylammonium saltcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcholinecarboxylic acid esterorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltprimary alcoholorganooxygen compound |
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