1.0 2016-09-30 23:20:10 UTC 2020-05-11 20:41:24 UTC BMDB0006111 BMDB06111 12-HETE (e,Z,Z,Z)-12-Hydroxy-5,8,10,14-eicosatetraenoate (e,Z,Z,Z)-12-Hydroxy-5,8,10,14-eicosatetraenoic acid 12-Hydroxy-5,8,10,14-eicosatetraenoate 12-Hydroxy-5,8,10,14-eicosatetraenoic acid 12-Hydroxy-5E,8Z,10Z,14Z-eicosatetraenoate 12-Hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid 12-Hydroxyeicosatetraenoate 12-Hydroxyeicosatetraenoic acid 12-R-HETE 12 S Hydroxyeicosatetraenoic acid 12-S-HETE Acid, 12-S-hydroxyeicosatetraenoic 12-S-Hydroxyeicosatetraenoic acid 12-HETE C20H32O3 320.4663 320.23514489 (5E,8Z,10Z,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid 12-hete CCCCC\C=C/CC(O)\C=C/C=C\C\C=C\CCCC(O)=O InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7+,11-8-,13-10-,17-14- ZNHVWPKMFKADKW-FYMOKONMSA-N belongs to the class of organic compounds known as hydroxyeicosatetraenoic acids. These are eicosanoic acids with an attached hydroxyl group and four CC double bonds. Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Hydroxyeicosatetraenoic acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Unsaturated fatty acids Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Hydroxy fatty acid Hydroxyeicosatetraenoic acid Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Unsaturated fatty acid Aliphatic acyclic compounds Hydroxy/hydroperoxyeicosatetraenoic acids Solid logp 5.86 ALOGPS logs -5.26 ALOGPS logp 5.36 ChemAxon pka_strongest_acidic 4.89 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (5E,8Z,10Z,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid ChemAxon average_mass 320.4663 ChemAxon mono_mass 320.23514489 ChemAxon smiles CCCCC\C=C/CC(O)\C=C/C=C\C\C=C\CCCC(O)=O ChemAxon formula C20H32O3 ChemAxon inchi InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7+,11-8-,13-10-,17-14- ChemAxon inchikey ZNHVWPKMFKADKW-FYMOKONMSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 101.47 ChemAxon polarizability 38.84 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 12147 Specdb::CMs 38958 Specdb::MsMs 50034 Specdb::MsMs 50035 Specdb::MsMs 50036 Specdb::MsMs 162804 Specdb::MsMs 162805 Specdb::MsMs 162806 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 5312983 12-Hydroxyeicosatetraenoic acid