1.0 2010-04-08 22:06:00 UTC 2025-11-18 22:54:20 UTC FDB003915 Choline ascorbate Choline ascorbate is also known as choline ascorbic acid. Choline ascorbate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Choline ascorbate can be found in wild celery, which makes choline ascorbate a potential biomarker for the consumption of this food product. C11H21NO7 279.289 279.13180202 (2-hydroxyethyl)trimethylazanium (2S)-2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethan-1-olate choline (2S)-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate C[N+](C)(C)CCO.[H][C@](O)(C[O-])C1([H])OC(=O)C(O)=C1O InChI=1S/C6H7O6.C5H14NO/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-6(2,3)4-5-7/h2,5,8-10H,1H2;7H,4-5H2,1-3H3/q-1;+1/t2-,5?;/m0./s1 FSJVVVCZSRCTBM-HXPAKLQESA-N belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation. Cholines Organic compounds Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts 1,2-aminoalcohols Alkoxides Butenolides Carbonyl compounds Enediols Enoate esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Oxacyclic compounds Primary alcohols Secondary alcohols Tetraalkylammonium salts Vinylogous acids 1,2-aminoalcohol 2-furanone Alcohol Aliphatic heteromonocyclic compound Alkanolamine Alkoxide Alpha,beta-unsaturated carboxylic ester Amine Carbonyl group Carboxylic acid derivative Carboxylic acid ester Choline Dihydrofuran Enediol Enoate ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organoheterocyclic compound Organooxygen compound Organopnictogen compound Oxacycle Primary alcohol Secondary alcohol Tetraalkylammonium salt Vinylogous acid logp -1.30 ALOGPS logs -1.56 ALOGPS solubility 7.73e+00 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 4.36 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2-hydroxyethyl)trimethylazanium (2S)-2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethan-1-olate ChemAxon average_mass 279.289 ChemAxon mono_mass 279.13180202 ChemAxon smiles C[N+](C)(C)CCO.[H][C@](O)(C[O-])C1([H])OC(=O)C(O)=C1O ChemAxon formula C11H21NO7 ChemAxon inchi InChI=1S/C6H7O6.C5H14NO/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-6(2,3)4-5-7/h2,5,8-10H,1H2;7H,4-5H2,1-3H3/q-1;+1/t2-,5?;/m0./s1 ChemAxon inchikey FSJVVVCZSRCTBM-HXPAKLQESA-N ChemAxon polar_surface_area 110.05 ChemAxon refractivity 47.58 ChemAxon polarizability 14.49 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Wild celery Type 1 specific Apium graveolens 4045