CHEBI:16822 - choline sulfate

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ChEBI Name choline sulfate ChEBI ID CHEBI:16822 Definition An ammonium betaine that is the conjugate base of choline hydrogen sulfate, obtained by deprotonation of the sulfate OH group. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:13987, CHEBI:3669, CHEBI:23215 Supplier Information ChemicalBook:CB8439347, eMolecules:524521, ZINC000000895261 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C5H13NO4S C5H13NO4S Net Charge 0 Average Mass 183.22600 Monoisotopic Mass 183.05653 InChI InChI=1S/C5H13NO4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3 InChIKey WXCQAWGXWVRCGP-UHFFFAOYSA-N SMILES C[N+](C)(C)CCOS([O-])(=O)=O ChEBI Ontology Outgoing choline sulfate (CHEBI:16822) is a ammonium betaine (CHEBI:35284) choline sulfate (CHEBI:16822) is a choline sulfates (CHEBI:23216) choline sulfate (CHEBI:16822) is conjugate base of choline hydrogen sulfate (CHEBI:52859) Incoming choline hydrogen sulfate (CHEBI:52859) is conjugate acid of choline sulfate (CHEBI:16822) IUPAC Name 2-(trimethylammonio)ethyl sulfate Synonyms Sources Choline sulfate KEGG COMPOUND choline sulfate UniProt choline sulfate betaine ChEBI Manual Xrefs Databases C00001530 KNApSAcK C00919 KEGG COMPOUND View more database links Registry Numbers Types Sources 3905491 Reaxys Registry Number Reaxys 4858-96-2 CAS Registry Number KEGG COMPOUND Citations Types Sources 13584416 PubMed citation Europe PMC 13718099 PubMed citation Europe PMC 16655967 PubMed citation Europe PMC 17779079 PubMed citation Europe PMC 7397169 PubMed citation Europe PMC 871964 PubMed citation Europe PMC Last Modified 02 April 2015