| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:36 UTC |
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| Update Date | 2025-03-21 18:39:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126090 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C11H22NO5+ |
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| Molecular Mass | 248.1492 |
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| SMILES | C[N+](C)(C)CCOC(=O)CCC(O)CC(=O)O |
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| InChI Key | XDTBFMJGRDFFMD-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 acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxideorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganic saltalcoholtetraalkylammonium salthydroxy acidamino fatty acidfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholacyl cholinedicarboxylic acid or derivativeshydrocarbon derivativeamineorganooxygen compound |
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