1.0 2016-10-03 18:01:34 UTC 2020-04-22 15:39:28 UTC BMDB0010216 BMDB10216 5,15-DiHETE (5S,15S)-Dihydroxy-(6E,8Z,11Z,13E)-eicosatetraenoic acid (5S,15S)-Dihydroxy-(6E,8Z,11Z,13E)-icosatetraenoic acid (5S,6E,8Z,11Z,13E,15S)-5,15-Dihydroxyicosatetraenoic acid 5(S),15(S)-Dihydroxy-6,13-trans-8,11-cis-eicosatetraenoic acid 5,15-Dihydroxy-6,8,11,13-eicosatetraenoic acid 5,15-Dihydroxyeicosatetraenoic acid 5S,15S-DiHETE 5S,15S-Dihydroxy-6E,8Z,11Z,13E-eicosatetraenoic acid (5S,15S)-Dihydroxy-(6E,8Z,11Z,13E)-eicosatetraenoate (5S,15S)-Dihydroxy-(6E,8Z,11Z,13E)-icosatetraenoate (5S,6E,8Z,11Z,13E,15S)-5,15-Dihydroxyicosatetraenoate 5(S),15(S)-Dihydroxy-6,13-trans-8,11-cis-eicosatetraenoate 5,15-Dihydroxy-6,8,11,13-eicosatetraenoate 5,15-Dihydroxyeicosatetraenoate 5S,15S-Dihydroxy-6E,8Z,11Z,13E-eicosatetraenoate 5(S),15(S)-DiHETE 5,15-DiHETE C20H32O4 336.4657 336.230059512 (5S,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoic acid 5S,15S-DiHETE 82200-87-1 CCCCC[C@H](O)\C=C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O InChI=1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10+,15-11+/t18-,19+/m0/s1 UXGXCGPWGSUMNI-BVHTXILBSA-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 5.33 ALOGPS logs -4.32 ALOGPS logp 4.13 ChemAxon pka_strongest_acidic 4.58 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (5S,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoic acid ChemAxon average_mass 336.4657 ChemAxon mono_mass 336.230059512 ChemAxon smiles CCCCC[C@H](O)\C=C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O ChemAxon formula C20H32O4 ChemAxon inchi InChI=1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10+,15-11+/t18-,19+/m0/s1 ChemAxon inchikey UXGXCGPWGSUMNI-BVHTXILBSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 102.98 ChemAxon polarizability 39.52 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 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::CMs 12829 Specdb::CMs 39430 Specdb::CMs 149801 Specdb::MsMs 294181 Specdb::MsMs 294182 Specdb::MsMs 294183 Specdb::MsMs 334834 Specdb::MsMs 334835 Specdb::MsMs 334836 Specdb::MsMs 2272422 Specdb::MsMs 2272423 Specdb::MsMs 2272424 Specdb::MsMs 3070002 Specdb::MsMs 3070003 Specdb::MsMs 3070004 4446282 5283158 91286 FDB027370