1.0 2011-09-21 01:50:34 UTC 2015-07-21 06:59:38 UTC FDB029131 13-HETE 13-Hydroxyeicosatetraenoic acid is one of the main metabolites of 15-lipoxygenases (15-LOXs), are endogenous ligands of PPARr. It can inhibit cell proliferation and induce apoptosis in several types of human cancer 13-HETE is an arachidonic acid metabolite in rat liver microsomes, and is a metabolite of red algae.Hydroxyeicosatetraenoic acids (HETEs) are formed in numerous cell types by enzymatically-mediated hydroxylation of arachidonic acid. There are three distinct enzymes involved in HETE biosynthesis:lipoxygenase (LOX), prostaglandin H (PGH) synthase, and cytochrome P-450. LOX- and PGH-synthase-mediated arachidonic acid metabolism is normally highly stereoselective [HMDB] 13-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoate 13-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid C20H32O3 320.4663 320.23514489 (5Z,8Z,11Z,14Z)-13-hydroxyicosa-5,8,11,14-tetraenoic acid (5Z,8Z,11Z,14Z)-13-hydroxyicosa-5,8,11,14-tetraenoic acid 151910-72-4 CCCCC\C=C/C(O)\C=C/C\C=C/C\C=C/CCCC(O)=O InChI=1S/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b8-6-,9-7-,16-13-,17-14- SAKQICHVWOJSNI-BWWNDVLWSA-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. Hydroxyeicosatetraenoic acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Aliphatic acyclic compounds 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 Solid logp 5.82 ALOGPS logs -5.29 ALOGPS solubility 1.65e-03 g/l ALOGPS logp 5.51 ChemAxon pka_strongest_acidic 4.82 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac (5Z,8Z,11Z,14Z)-13-hydroxyicosa-5,8,11,14-tetraenoic acid ChemAxon average_mass 320.4663 ChemAxon mono_mass 320.23514489 ChemAxon smiles CCCCC\C=C/C(O)\C=C/C\C=C/C\C=C/CCCC(O)=O ChemAxon formula C20H32O3 ChemAxon inchi InChI=1S/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b8-6-,9-7-,16-13-,17-14- ChemAxon inchikey SAKQICHVWOJSNI-BWWNDVLWSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 101.32 ChemAxon polarizability 38.02 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16123 Specdb::CMs 39964 Specdb::CMs 161018 Specdb::MsMs 301759 Specdb::MsMs 301760 Specdb::MsMs 301761 Specdb::MsMs 344314 Specdb::MsMs 344315 Specdb::MsMs 344316 Specdb::MsMs 2664172 Specdb::MsMs 2664173 Specdb::MsMs 2664174 Specdb::MsMs 3017289 Specdb::MsMs 3017290 Specdb::MsMs 3017291 HMDB12567