| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:36 UTC |
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| Update Date | 2025-03-25 00:48:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170665 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H44NO4+ |
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| Molecular Mass | 446.3265 |
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| SMILES | COC(=O)CCCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC[N+](C)(C)C |
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| InChI Key | UQGKOQSLMFWOHD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | quaternary ammonium salts |
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| Direct Parent | acyl cholines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aminescarbonyl compoundsdicarboxylic acids and derivativesfatty acid methyl estershydrocarbon derivativesmethyl estersorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouptetraalkylammonium saltcarboxylic acid derivativefatty acid esterorganic oxidefatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esteracyl cholinedicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltamineorganooxygen compound |
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