| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:58 UTC |
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| Update Date | 2025-03-25 00:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219779 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H28NO4+ |
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| Molecular Mass | 310.2013 |
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| SMILES | C[N+](C)(C)CCOC(=O)CCCC=CCC=CC=CC(=O)O |
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| InChI Key | ABGTUVCXBGIIPQ-UHFFFAOYSA-O |
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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 | aminesamino fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium saltsunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidunsaturated fatty acidorganic oxideorganopnictogen compoundmedium-chain fatty acidorganic cationorganic salttetraalkylammonium saltamino fatty acidfatty acid esterorganic oxygen compoundcarboxylic acid esteracyl cholinedicarboxylic acid or derivativeshydrocarbon derivativeamineorganooxygen compound |
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