1.0 2011-09-21 00:26:17 UTC 2015-07-21 06:57:35 UTC FDB023204 Retinyl ester Retinyl ester is a substrate for Lecithin retinol acyltransferase and Retinal pigment epithelium-specific 65 kDa protein. [HMDB] 6-Dihydroretinoate all-e-Retinoate all-trans-Retinyl ester C20H30O2 302.451 302.224580204 (2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,4,6,8-tetraenoic acid retinyl ester CC1CCCC(C)(C)C1\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O InChI=1S/C20H30O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14,17-18H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ WWDMJSSVVPXVSV-YCNIQYBTSA-N belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. Retinoids Organic compounds Lipids and lipid-like molecules Prenol lipids Retinoids Aliphatic homomonocyclic compounds Carbonyl compounds Carboxylic acids Diterpenoids Hydrocarbon derivatives Medium-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Aliphatic homomonocyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Diterpenoid Fatty acid Fatty acyl Hydrocarbon derivative Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Retinoic acid Retinoid skeleton Unsaturated fatty acid Solid logp 6.35 ALOGPS logs -5.54 ALOGPS solubility 8.78e-04 g/l ALOGPS logp 5.46 ChemAxon pka_strongest_acidic 4.94 ChemAxon iupac (2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,4,6,8-tetraenoic acid ChemAxon average_mass 302.451 ChemAxon mono_mass 302.224580204 ChemAxon smiles CC1CCCC(C)(C)C1\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O ChemAxon formula C20H30O2 ChemAxon inchi InChI=1S/C20H30O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14,17-18H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ ChemAxon inchikey WWDMJSSVVPXVSV-YCNIQYBTSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 97.21 ChemAxon polarizability 37.07 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21747 Specdb::CMs 38637 Specdb::CMs 165606 Specdb::MsMs 314350 Specdb::MsMs 314351 Specdb::MsMs 314352 Specdb::MsMs 360079 Specdb::MsMs 360080 Specdb::MsMs 360081 Specdb::MsMs 2369127 Specdb::MsMs 2369128 Specdb::MsMs 2369129 Specdb::MsMs 2566979 Specdb::MsMs 2566980 Specdb::MsMs 2566981 HMDB03598 16179 #<Reference:0x000055ce31d4cb78> #<Reference:0x000055ce31d4c9c0> #<Reference:0x000055ce31d4c808> #<Reference:0x000055ce31d4c650> #<Reference:0x000055ce31d4c498> #<Reference:0x000055ce31d4c2e0> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Acyl-CoA wax alcohol acyltransferase 1 Q58HT5 AWAT1 Acyl-CoA wax alcohol acyltransferase 2 Q6E213 AWAT2 Diacylglycerol O-acyltransferase 1 O75907 DGAT1 Diacylglycerol O-acyltransferase 2 Q96PD7 DGAT2 Lecithin retinol acyltransferase O95237 LRAT Retinoid isomerohydrolase Q16518 RPE65