1.0 2016-09-30 23:09:19 UTC 2020-04-22 15:13:45 UTC BMDB0004362 BMDB04362 4-Hydroxynonenal (e)-4-Hydroxy-2-nonenal 4-Hydroxy-2,3-trans-nonenal HNE trans-4-Hydroxy-2-nonenal 4-Hydroxy-2,3-nonenal 4-Hydroxy-2-nonenal 4-Hydroxynon-2-enal 4-Hydroxynonen-2-al 4-HNE CPD 4-Hydroxy-2-nonenal, (e)-isomer 4-Hydroxynonenal C9H16O2 156.2221 156.115029756 (2E)-4-hydroxynon-2-enal trans-4-hydroxy-2-nonenal 75899-68-2 CCCCCC(O)\C=C\C=O InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+ JVJFIQYAHPMBBX-FNORWQNLSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Fatty alcohols Enals Hydrocarbon derivatives Medium-chain aldehydes Organic oxides Secondary alcohols Alcohol Aldehyde Aliphatic acyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Enal Fatty alcohol Hydrocarbon derivative Medium-chain aldehyde Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds 4-hydroxynon-2-enal Fatty aldehydes Solid logp 1.87 ALOGPS logs -1.71 ALOGPS logp 1.75 ChemAxon pka_strongest_acidic 14.86 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (2E)-4-hydroxynon-2-enal ChemAxon average_mass 156.2221 ChemAxon mono_mass 156.115029756 ChemAxon smiles CCCCCC(O)\C=C\C=O ChemAxon formula C9H16O2 ChemAxon inchi InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+ ChemAxon inchikey JVJFIQYAHPMBBX-FNORWQNLSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 46.56 ChemAxon polarizability 18.71 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 2202 Specdb::MsIr 2203 Specdb::MsIr 2204 Specdb::MsMs 72321 Specdb::MsMs 72322 Specdb::MsMs 72323 Specdb::MsMs 131196 Specdb::MsMs 131197 Specdb::MsMs 131198 Specdb::MsMs 2271066 Specdb::MsMs 2271067 Specdb::MsMs 2271068 Specdb::MsMs 3068470 Specdb::MsMs 3068471 Specdb::MsMs 3068472 Specdb::NmrOneD 48202 Specdb::NmrOneD 48203 Specdb::NmrOneD 48204 Specdb::NmrOneD 48205 Specdb::NmrOneD 48206 Specdb::NmrOneD 48207 Specdb::NmrOneD 48208 Specdb::NmrOneD 48209 Specdb::NmrOneD 48210 Specdb::NmrOneD 48211 Specdb::NmrOneD 48212 Specdb::NmrOneD 48213 Specdb::NmrOneD 48214 Specdb::NmrOneD 48215 Specdb::NmrOneD 48216 Specdb::NmrOneD 48217 Specdb::NmrOneD 48218 Specdb::NmrOneD 48219 Specdb::NmrOneD 48220 Specdb::NmrOneD 48221 Specdb::CMs 14042 Specdb::CMs 38756 Specdb::CMs 151084 FDB020986 4446465 58968 5283344 C00000447 4-Hydroxynonenal Esterbauer, Hermann; Benedetti, Angelo; Lang, Johanna; Fulceri, Rosella; Fauler, Gunther; Comporti, Mario. Studies on the mechanism of formation of 4-hydroxynonenal during microsomal lipid peroxidation. Biochimica et Biophysica Acta, Lipids and Lipid Metabolism (1986), 876(1), 154-66.