| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:40:30 UTC |
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| Update Date | 2025-03-21 17:58:45 UTC |
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| HMDB ID | HMDB0250194 |
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| Metabolite Identification |
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| DeepMet ID | DMID00016458 |
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| Name | Choline sulfate |
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| Frequency | 259.6 |
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| Structure | |
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| Chemical Formula | C5H14NO4S+ |
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| Molecular Mass | 184.0638 |
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| SMILES | C[N+](C)(C)CCOS(=O)(=O)O |
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| InChI Key | WXCQAWGXWVRCGP-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | sulfuric acid esters |
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| Direct Parent | sulfuric acid monoesters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfatesamineshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganooxygen compoundsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestertetraalkylammonium saltquaternary ammonium saltorganic oxideorganic oxygen compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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