1.0 2016-10-03 18:01:28 UTC 2020-04-22 15:39:26 UTC BMDB0010210 BMDB10210 15-KETE (5Z,8Z,11Z,13E)-15-Ketoeicosa-5,8,11,13-tetraenoic acid (5Z,8Z,11Z,13E)-15-oxo-5,8,11,13-Eicosatetraenoic acid (5Z,8Z,11Z,13E)-15-Oxoeicosa-5,8,11,13-tetraenoic acid (5Z,8Z,11Z,13E)-15-Oxoicosa-5,8,11,13-tetraenoic acid 15-oxo-5,8,11-cis-13-trans-Eicosatetraenoate 15-OxoETE 15-oxo-5,8,11-cis-13-trans-Icosatetraenoate (5Z,8Z,11Z,13E)-15-Ketoeicosa-5,8,11,13-tetraenoate (5Z,8Z,11Z,13E)-15-oxo-5,8,11,13-Eicosatetraenoate (5Z,8Z,11Z,13E)-15-Oxoeicosa-5,8,11,13-tetraenoate (5Z,8Z,11Z,13E)-15-Oxoicosa-5,8,11,13-tetraenoate 15-oxo-5,8,11-cis-13-trans-Eicosatetraenoic acid 15-oxo-5,8,11-cis-13-trans-Icosatetraenoic acid 15-oxo-5Z,8Z,11Z,13E-Eicosatetraenoate 15-oxo-5Z,8Z,11Z,13E-Eicosatetraenoic acid 15-oxo-ETE 15-Keto-5,8,11,13-eicosatetraenoic acid 15-Kete C20H30O3 318.4504 318.219494826 (5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid 15-Oxo-ETE 81416-72-0 CCCCCC(=O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+ YGJTUEISKATQSM-USWFWKISSA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Long-chain fatty acids Acryloyl compounds Carboxylic acids Enones Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Acryloyl-group Aliphatic acyclic compound Alpha,beta-unsaturated ketone Carbonyl group Carboxylic acid Carboxylic acid derivative Enone Hydrocarbon derivative Ketone Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid Aliphatic acyclic compounds Hydroxy/hydroperoxyeicosatetraenoic acids Hydroxy/hydroperoxyeicosatetraenoic acids oxoicosatetraenoic acid Solid logp 5.72 ALOGPS logs -5.55 ALOGPS logp 5.77 ChemAxon pka_strongest_acidic 4.82 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid ChemAxon average_mass 318.4504 ChemAxon mono_mass 318.219494826 ChemAxon smiles CCCCCC(=O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O ChemAxon formula C20H30O3 ChemAxon inchi InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+ ChemAxon inchikey YGJTUEISKATQSM-USWFWKISSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 100.57 ChemAxon polarizability 37.58 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 3 ChemAxon donor_count 1 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 23174 Specdb::CMs 39425 Specdb::CMs 173742 Specdb::MsMs 317410 Specdb::MsMs 317411 Specdb::MsMs 317412 Specdb::MsMs 363874 Specdb::MsMs 363875 Specdb::MsMs 363876 Specdb::MsMs 435458 Specdb::MsMs 435459 Specdb::MsMs 435460 Specdb::MsMs 435461 Specdb::MsMs 435462 Specdb::MsMs 435463 Specdb::MsMs 435464 Specdb::MsMs 435465 Specdb::MsMs 435466 Specdb::MsMs 2745500 Specdb::MsMs 2745501 Specdb::MsMs 2745502 Specdb::MsMs 2936434 Specdb::MsMs 2936435 Specdb::MsMs 2936436 4444287 C04577 15559 5280701 FDB027365