1.0 2011-09-21 01:51:13 UTC 2015-07-21 06:59:39 UTC FDB029174 4-Hydroxyretinal 4-OH-Retinal is involved in the Vitamin A (retinol) metabolism pathway. In the reaction, retinal is oxidized at the c-4 position to form 4-OH-Retinal, a visual pigment chromophore. [HMDB] 3,7-dimethyl-9-(5-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-all-trans-2,4,6,8-nonatetraen-1-ol 4-OH-all-trans-retinal 4-OH-Retinal 4OHVA C20H28O2 300.4351 300.20893014 (2E,4E,6E,8E)-9-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal (2E,4E,6E,8E)-9-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCC(O)C1(C)C)=C/C=O InChI=1S/C20H28O2/c1-15(7-6-8-16(2)13-14-21)9-11-18-17(3)10-12-19(22)20(18,4)5/h6-9,11,13-14,19,22H,10,12H2,1-5H3/b8-6+,11-9+,15-7+,16-13+ NCIHLRCJOBKKAL-ZBSJWCJSSA-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 Aldehydes Diterpenoids Enals Hydrocarbon derivatives Organic oxides Secondary alcohols Alcohol Aldehyde Aliphatic homomonocyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Diterpenoid Enal Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Retinoid skeleton Secondary alcohol Solid logp 5.43 ALOGPS logs -4.41 ALOGPS solubility 1.17e-02 g/l ALOGPS logp 3.62 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.83 ChemAxon iupac (2E,4E,6E,8E)-9-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal ChemAxon average_mass 300.4351 ChemAxon mono_mass 300.20893014 ChemAxon smiles C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCC(O)C1(C)C)=C/C=O ChemAxon formula C20H28O2 ChemAxon inchi InChI=1S/C20H28O2/c1-15(7-6-8-16(2)13-14-21)9-11-18-17(3)10-12-19(22)20(18,4)5/h6-9,11,13-14,19,22H,10,12H2,1-5H3/b8-6+,11-9+,15-7+,16-13+ ChemAxon inchikey NCIHLRCJOBKKAL-ZBSJWCJSSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 98.38 ChemAxon polarizability 36.36 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17822 Specdb::CMs 39993 Specdb::CMs 149940 Specdb::MsMs 305458 Specdb::MsMs 305459 Specdb::MsMs 305460 Specdb::MsMs 348877 Specdb::MsMs 348878 Specdb::MsMs 348879 Specdb::MsMs 2772188 Specdb::MsMs 2772189 Specdb::MsMs 2772190 Specdb::MsMs 2910455 Specdb::MsMs 2910456 Specdb::MsMs 2910457 HMDB12788