{"ymdb_id":"YMDB01519","created_at":"2011-07-29T00:46:33.000Z","updated_at":"2016-10-18T17:12:03.000Z","name":"Lutein","cas":"127-40-2","state":"Solid","melting_point":"196 oC","description":"Lutein is a xanthophyll carotenoid abundant in green leafy vegetables such as spinach and kale, but also found in other organisms. Lutein is used as an antioxidant and for blue light absorption. [Biocyc PWY-5947]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"28838","hmdb_id":"HMDB03233","kegg_id":"C08601","pubchem_id":"6433159","cs_id":"24748311","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CPD1F-119","iupac":"(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol","traditional_iupac":"(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol","logp":"8.550209330666668","pka":"18.907213404525137","alogps_solubility":"7.32e-04 g/l","alogps_logp":"8.29","alogps_logs":"-5.89","acceptor_count":"2","donor_count":"2","rotatable_bond_count":"10","polar_surface_area":"40.46","refractivity":"195.0634","polarizability":"73.3787748950564","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-0.9139435291721482","pka_strongest_acidic":"18.21727233987641","bioavailability":"0","number_of_rings":"2","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(3R,3'R,6'R)-Lutein","(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL","(3R,3'R)-Beta,Beta-Carotene-3,3'-Diol, Lutein","3,3'-Dihydroxy-alpha-carotene","4,5-Didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol","all-trans-(+)-Xanthophyll","all-trans-Lutein","all-trans-Xanthophyll","beta,epsilon-Carotene-3,3'-diol","Carotenoid","Lutein","Lutein ester","Lutein, all-trans-","Luteine","Phylloxanthin","trans-Lutein","Vegetable lutein","Vegetable luteol","Xanthophyll","Xanthophyll, all-trans-(+ )-"],"pathways":[],"growth_conditions":[{"growth_media":"grape juice","concentration":"0.105","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":[]}