1.0 2010-04-08 22:12:07 UTC 2019-11-26 03:12:25 UTC FDB015897 Mactraxanthin Constituent of Japanese edible surf clam (Mactra chinensis). Mactraxanthin is found in mollusks. (3S,3'S,5R,5'R,6R,6'R)-5,5',6,6'-Tetrahydro-3,3',5,5',6,6'-hexahydroxy-beta,beta-carotene 5,5',6,6'-Tetrahydro-b,b-carotene-3,3',5,5',6,6'-hexol C40H60O6 636.9008 636.438989652 2,6,6-trimethyl-1-[(1E,3Z,5E,7E,9Z,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohexane-1,2,4-triol 2,6,6-trimethyl-1-[(1E,3Z,5E,7E,9Z,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohexane-1,2,4-triol 86105-69-3 C/C(/C=C/C=C(/C)\C=C\C1(O)C(C)(C)CC(O)CC1(C)O)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1(O)C(C)(C)CC(O)CC1(C)O InChI=1S/C40H60O6/c1-29(17-13-19-31(3)21-23-39(45)35(5,6)25-33(41)27-37(39,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-40(46)36(7,8)26-34(42)28-38(40,10)44/h11-24,33-34,41-46H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20+ QOXCNWZDKKXAOL-GJFRSXNUSA-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 Cyclitols and derivatives Cyclohexanols Hydrocarbon derivatives Polyols Tertiary alcohols Alcohol Aliphatic homomonocyclic compound Cyclic alcohol Cyclitol or derivatives Cyclohexanol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Tertiary alcohol Xanthophyll logp 5.28 ALOGPS logs -5.54 ALOGPS solubility 1.83e-03 g/l ALOGPS melting_point Mp 232-233° logp 4.93 ChemAxon pka_strongest_acidic 12.61 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 2,6,6-trimethyl-1-[(1E,3Z,5E,7E,9Z,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohexane-1,2,4-triol ChemAxon average_mass 636.9008 ChemAxon mono_mass 636.438989652 ChemAxon smiles C/C(/C=C/C=C(/C)\C=C\C1(O)C(C)(C)CC(O)CC1(C)O)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1(O)C(C)(C)CC(O)CC1(C)O ChemAxon formula C40H60O6 ChemAxon inchi InChI=1S/C40H60O6/c1-29(17-13-19-31(3)21-23-39(45)35(5,6)25-33(41)27-37(39,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-40(46)36(7,8)26-34(42)28-38(40,10)44/h11-24,33-34,41-46H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20+ ChemAxon inchikey QOXCNWZDKKXAOL-GJFRSXNUSA-N ChemAxon polar_surface_area 121.38 ChemAxon refractivity 199.35 ChemAxon polarizability 76.72 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 6 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 54843 Specdb::MsMs 54844 Specdb::MsMs 54845 Specdb::MsMs 124647 Specdb::MsMs 124648 Specdb::MsMs 124649 Specdb::MsMs 2309004 Specdb::MsMs 2309005 Specdb::MsMs 2309006 Specdb::MsMs 2656111 Specdb::MsMs 2656112 Specdb::MsMs 2656113 Specdb::CMs 18875 Specdb::CMs 596238 Specdb::CMs 596239 Specdb::CMs 596240 Specdb::CMs 596241 Specdb::CMs 596242 Specdb::CMs 596243 Specdb::CMs 596244 Specdb::CMs 596245 Specdb::CMs 596246 Specdb::CMs 596247 Specdb::CMs 596248 Specdb::CMs 596249 Specdb::CMs 596250 Specdb::CMs 596251 Specdb::CMs 596252 Specdb::CMs 596253 Specdb::CMs 596254 Specdb::CMs 596255 Specdb::CMs 596256 Specdb::CMs 596257 Specdb::CMs 596258 Specdb::CMs 596259 Specdb::CMs 596260 Specdb::CMs 596261 HMDB36928 #<Reference:0x000055ce32336070> Mollusks Unknown generic 6447