1.0 2010-04-08 22:14:38 UTC 2019-11-26 03:17:57 UTC FDB019870 (3S,3'S,all-E)-Zeaxanthin Isolated from various fishes, including Paratya compressa compressa (shrimp) and Theragra chalcogramma (pollack) [DFC] Zeaxanthin is one of the two primary xanthophyll carotenoids contained within the retina of the eye. Within the central macula, zeaxanthin is the dominant component, whereas in the peripheral retina, lutein predominates. The principal natural form of zeaxanthin is (3R,3'R)-zeaxanthin. As a food additive, zeaxanthin is a food dye with E number E161h. [Wikipedia]. (3S,3'S,all-E)-Zeaxanthin is found in channel catfish, crustaceans, and fishes. (3S,3'S)-Zeaxanthin C40H56O2 568.8714 568.428031036 (1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-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 (1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-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 72002-36-9 O[C@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C1 InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1 JKQXZKUSFCKOGQ-ANDPMPNWSA-N belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. Xanthophylls Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Aliphatic homomonocyclic compounds Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Xanthophyll logp 8.30 ALOGPS logs -5.94 ALOGPS solubility 6.49e-04 g/l ALOGPS melting_point Mp 209-209.5° logp 8.35 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -0.79 ChemAxon iupac (1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-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 ChemAxon average_mass 568.8714 ChemAxon mono_mass 568.428031036 ChemAxon smiles O[C@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C1 ChemAxon formula C40H56O2 ChemAxon inchi InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1 ChemAxon inchikey JKQXZKUSFCKOGQ-ANDPMPNWSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 194.95 ChemAxon polarizability 73.76 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 299743 Specdb::MsMs 299744 Specdb::MsMs 299745 Specdb::MsMs 341836 Specdb::MsMs 341837 Specdb::MsMs 341838 Specdb::MsMs 2795930 Specdb::MsMs 2795931 Specdb::MsMs 2795932 Specdb::MsMs 2887040 Specdb::MsMs 2887041 Specdb::MsMs 2887042 Specdb::CMs 15215 Specdb::CMs 46694 Specdb::CMs 282215 Specdb::CMs 365845 Specdb::CMs 365846 Specdb::CMs 365847 HMDB40162 #<Reference:0x000055ce31730208> Channel catfish Type 1 specific Ictalurus punctatus 7998 Crustaceans Unknown generic 6657 Fishes Unknown generic