1.0 2016-09-30 23:15:15 UTC 2020-04-22 15:15:18 UTC BMDB0005081 BMDB05081 5-HEPE (+-)-5-HEPE (+-)-5-Hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid (+-)-5-Hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoate (+/-)-5-hepe (+/-)-5-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoate (+/-)-5-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid 5-Hydroxy-6,8,11,14,17-eicosapentaenoate 5-Hydroxy-6,8,11,14,17-eicosapentaenoic acid 5-Hydroxyeicosapentaenoate 5-Hydroxyeicosapentaenoic acid 5-HEPE C20H30O3 318.4504 318.219494826 (6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid 5-hydroxyeicosapentaenoic acid 83952-40-3 CC\C=C/C\C=C/C\C=C/C\C=C/C=C/C(O)CCCC(O)=O InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+ FTAGQROYQYQRHF-FCWZHQICSA-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 -5.05 ALOGPS logp 4.99 ChemAxon pka_strongest_acidic 4.58 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac (6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid ChemAxon average_mass 318.4504 ChemAxon mono_mass 318.219494826 ChemAxon smiles CC\C=C/C\C=C/C\C=C/C\C=C/C=C/C(O)CCCC(O)=O ChemAxon formula C20H30O3 ChemAxon inchi InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+ ChemAxon inchikey FTAGQROYQYQRHF-FCWZHQICSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 102.59 ChemAxon polarizability 37.17 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 22774 Specdb::CMs 38854 Specdb::CMs 169374 Specdb::NmrOneD 325592 Specdb::NmrOneD 325593 Specdb::NmrOneD 325594 Specdb::NmrOneD 325595 Specdb::NmrOneD 325596 Specdb::NmrOneD 325597 Specdb::NmrOneD 325598 Specdb::NmrOneD 325599 Specdb::NmrOneD 325600 Specdb::NmrOneD 325601 Specdb::NmrOneD 325602 Specdb::NmrOneD 325603 Specdb::NmrOneD 325604 Specdb::NmrOneD 325605 Specdb::NmrOneD 325606 Specdb::NmrOneD 325607 Specdb::NmrOneD 325608 Specdb::NmrOneD 325609 Specdb::NmrOneD 325610 Specdb::NmrOneD 325611 Specdb::MsMs 316552 Specdb::MsMs 316553 Specdb::MsMs 316554 Specdb::MsMs 362854 Specdb::MsMs 362855 Specdb::MsMs 362856 Specdb::MsMs 2421006 Specdb::MsMs 2421007 Specdb::MsMs 2421008 Specdb::MsMs 2544679 Specdb::MsMs 2544680 Specdb::MsMs 2544681 4944072 FDB023620 72801 6439678