{"ymdb_id":"YMDB01516","created_at":"2011-07-29T00:46:22.000Z","updated_at":"2016-10-18T17:12:03.000Z","name":"Betaine","cas":"107-43-7","state":"Solid","melting_point":"293 oC","description":"Betaine (glycine betaine or trimethylglycine) is a methylated derivative of glycine synthetized from choline. It is a very efficient osmolyte found in a wide range of bacteria and plants, where it is accumulated at high cytoplasmic concentrations in response to osmotic stress, to act as an osmoprotectant. Many organisms, including fungi, are also able to catabolize glycine betaine, using it as a sole source for both carbon and nitrogen. [Biocyc PWY-3721 and PWY-3661]","experimental_water_solubility":"611 mg/mL at 19 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":"Mu, Yun; Guo, Xiao-hui.  Improved process for preparation of betaine.    Huaxue Yu Shengwu Gongcheng  (2005),  22(7),  48-49. ","chebi_id":"17750","hmdb_id":"HMDB00043","kegg_id":"C00719","pubchem_id":"247","cs_id":"242","foodb_id":null,"wikipedia_link":null,"biocyc_id":"BETAINE","iupac":"2-(trimethylazaniumyl)acetate","traditional_iupac":"(trimethylammonio)acetate","logp":"-4.494183842471745","pka":null,"alogps_solubility":"1.86e+00 g/l","alogps_logp":"-2.70","alogps_logs":"-1.96","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"40.129999999999995","refractivity":"52.8234","polarizability":"12.114991959092798","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":"2.2595637800263866","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(Trimethylammonio)acetate","(trimethylammoniumyl)acetate","1-carboxy-N,N,N-trimethyl-Methanaminium","1-carboxy-N,N,N-trimethyl-Methanaminium hydroxide","1-Carboxy-N,N,N-trimethylmethanaminium inner salt","2-(Trimethylammonio)ethanoic acid, hydroxide, inner salt","2-N,N,N-trimethylammonio acetate","a-Earleine","Abromine","acidol","alpha-Earleine","Aminocoat","Bet","Betaine","Betaine hydrochloride","Cystadane","Glycine betaine","Glycine, trimethyl\u0026beta","Glycine, trimethylbetaine","Glycocoll \u0026beta","Glycocoll betaine","Glycylbetaine","Greenstim","ine","Lycine","Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide","Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt","N,N,N-trimethylammonioacetate","N,N,N-Trimethylglycine","Oxyneurine","Rubrine C","trimethylaminoacetate","Trimethylaminoacetic acid","Trimethylammonioacetate","trimethylbetaine Glycine","Trimethylglycine","Trimethylglycocoll"],"pathways":[],"growth_conditions":[{"growth_media":"grape juice","concentration":"26.0","concentration_units":"\u0026#181;M","error":"0.0"}],"references":[{"pubmed_id":null,"citation":"Alcoholic beverage, wine, table, red - U.S. Department of Agriculture, Agricultural Research Service. 2010. USDA National Nutrient Database for Standard Reference, Release 23. \u003ca href = http://www.ars.usda.gov/ba/bhnrc/ndl\u003eNutrient Data Laboratory Home Page\u003c/a\u003e"}],"proteins":[]}