| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:36:08 UTC |
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| Update Date | 2025-03-21 17:57:13 UTC |
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| HMDB ID | HMDB0013224 |
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| Metabolite Identification |
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| DeepMet ID | DMID00006434 |
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| Name | Caproylcholine |
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| Frequency | 802.1 |
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| Structure | |
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| Chemical Formula | C11H24NO2+ |
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| Molecular Mass | 202.1802 |
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| SMILES | CCCCCC(=O)OCC[N+](C)(C)C |
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| InChI Key | FKJUAGXPCITGLZ-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 compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouptetraalkylammonium saltcarboxylic acid derivativefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteracyl cholineorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltamineorganooxygen compound |
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