| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:05:30 UTC |
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| Update Date | 2025-03-21 18:29:02 UTC |
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| HMDB ID | HMDB0015654 |
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| Metabolite Identification |
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| DeepMet ID | DMID00075337 |
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| Name | Methacholine |
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| Frequency | 39.3 |
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| Structure | |
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| Chemical Formula | C8H18NO2+ |
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| Molecular Mass | 160.1332 |
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| SMILES | CC(=O)OC(C)C[N+](C)(C)C |
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| InChI Key | NZWOPGCLSHLLPA-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 | tetraalkylammonium salts |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aminescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl grouptetraalkylammonium saltcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltamineorganooxygen compound |
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