1.0 2016-10-03 18:06:04 UTC 2020-04-22 15:40:37 UTC BMDB0010410 BMDB10410 Resolvin E1 5S,12R,18R-Trihydroxy-6Z,8E,10E,14Z,16E-epa ResolvinE1 RvE1 5S,12R,18R-Trihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid (6Z,8E,10E,14Z,16E)-5,12,18-Trihydroxyicosa-6,8,10,14,16-pentaenoate Resolvin e1 C20H30O5 350.4492 350.20932407 (6Z,8E,10E,14Z,16E)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid RvE1 CCC(O)\C=C\C=C/CC(O)\C=C\C=C\C=C/C(O)CCCC(O)=O InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7- AOPOCGPBAIARAV-WEKRNNBPSA-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 Polyols 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 Polyol Secondary alcohol Unsaturated fatty acid Aliphatic acyclic compounds Solid logp 4.24 ALOGPS logs -3.89 ALOGPS logp 2.53 ChemAxon pka_strongest_acidic 4.65 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (6Z,8E,10E,14Z,16E)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid ChemAxon average_mass 350.4492 ChemAxon mono_mass 350.20932407 ChemAxon smiles CCC(O)\C=C\C=C/CC(O)\C=C\C=C\C=C/C(O)CCCC(O)=O ChemAxon formula C20H30O5 ChemAxon inchi InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7- ChemAxon inchikey AOPOCGPBAIARAV-WEKRNNBPSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 105.62 ChemAxon polarizability 39.78 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 5 ChemAxon donor_count 4 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 14833 Specdb::CMs 39519 Specdb::CMs 167903 Specdb::MsMs 298765 Specdb::MsMs 298766 Specdb::MsMs 298767 Specdb::MsMs 340624 Specdb::MsMs 340625 Specdb::MsMs 340626 Specdb::MsMs 2660935 Specdb::MsMs 2660936 Specdb::MsMs 2660937 Specdb::MsMs 3020610 Specdb::MsMs 3020611 Specdb::MsMs 3020612 35032053 25063347 FDB027561