1.0 2016-10-03 18:01:19 UTC 2020-04-22 15:39:23 UTC BMDB0010202 BMDB10202 12-HEPE (+-)-12-HEPE (+-)-12-Hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid (5Z,8Z,10E,14Z,17Z)-12-Hydroxyeicosa-5,8,10,14,17-pentaenoic acid 12-Hydroxy-5Z,8Z,10E,14Z,17Z-icosapentaenoic acid 12-Hydroxyicosa-(5Z,8Z,10E,14Z,17Z)-pentaenoic acid (+-)-12-Hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoate (5Z,8Z,10E,14Z,17Z)-12-Hydroxyeicosa-5,8,10,14,17-pentaenoate 12-Hydroxy-5Z,8Z,10E,14Z,17Z-icosapentaenoate 12-Hydroxyicosa-(5Z,8Z,10E,14Z,17Z)-pentaenoate 12-Hydroxy-5,8,10,14,17-eicosapentaenoate 12-Hydroxy-5,8,10,14,17-eicosapentaenoic acid 12-Hydroxyeicosapentaenoate 12-Hydroxyeicosapentaenoic acid 12-Hydroxy-5,8,10,14,17-eicospentaenoic acid, (e,Z,Z,Z,Z)-isomer 12-HEP 12-Hydroxy-5,8,10,14,17-eicospentaenoic acid C20H30O3 318.4504 318.219494826 (5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoic acid 12-hepe CC\C=C/C\C=C/CC(O)\C=C\C=C/C\C=C/CCCC(O)=O InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+ MCRJLMXYVFDXLS-QGQBRVLBSA-N belongs to the class of organic compounds known as hydroxyeicosapentaenoic acids. These are eicosanoic acids with an attached hydroxyl group and five CC double bonds. Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Hydroxyeicosapentaenoic 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 Hydroxyeicosapentaenoic acid Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Unsaturated fatty acid Aliphatic acyclic compounds HEPE Hydroxy/hydroperoxyeicosapentaenoic acids Solid logp 5.54 ALOGPS logs -5.02 ALOGPS logp 4.99 ChemAxon pka_strongest_acidic 4.89 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoic acid ChemAxon average_mass 318.4504 ChemAxon mono_mass 318.219494826 ChemAxon smiles CC\C=C/C\C=C/CC(O)\C=C\C=C/C\C=C/CCCC(O)=O ChemAxon formula C20H30O3 ChemAxon inchi InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+ ChemAxon inchikey MCRJLMXYVFDXLS-QGQBRVLBSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 102.59 ChemAxon polarizability 37.18 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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 25185 Specdb::CMs 39417 Specdb::CMs 133113 Specdb::CMs 140847 Specdb::MsMs 321826 Specdb::MsMs 321827 Specdb::MsMs 321828 Specdb::MsMs 369547 Specdb::MsMs 369548 Specdb::MsMs 369549 Specdb::MsMs 2400171 Specdb::MsMs 2400172 Specdb::MsMs 2400173 Specdb::MsMs 2538992 Specdb::MsMs 2538993 Specdb::MsMs 2538994 FDB027357 8217157 10041593 72645