1.0 2016-10-03 18:13:25 UTC 2020-04-22 15:42:52 UTC BMDB0011135 BMDB11135 5-HPETE (5R,8Z,11Z,14Z)-5-Hydroperoxyicosa-6,8,11,14-tetraenoate C20H32O4 336.472 336.23005951 (5R,6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid (5R,6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C([H])=C([H])[C@@]([H])(CCCC(O)=O)OO InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+/t19-/m0/s1 JNUUNUQHXIOFDA-CABOLEKPSA-N belongs to the class of organic compounds known as hydroperoxyeicosatetraenoic acids. These are eicosanoic acids with an attached hydroperoxyl group and four CC double bonds. Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Hydroperoxyeicosatetraenoic acids Alkyl hydroperoxides Allylic hydroperoxides Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroperoxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Peroxols Unsaturated fatty acids Aliphatic acyclic compound Alkyl hydroperoxide Allylic hydroperoxide Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Hydroperoxide Hydroperoxy fatty acid Hydroperoxyeicosatetraenoic acid Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Peroxol Unsaturated fatty acid Aliphatic acyclic compounds Solid logp 5.92 ALOGPS logs -5.32 ALOGPS logp 5.81 ChemAxon pka_strongest_acidic 4.39 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (5R,6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid ChemAxon average_mass 336.472 ChemAxon mono_mass 336.23005951 ChemAxon smiles [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C([H])=C([H])[C@@]([H])(CCCC(O)=O)OO ChemAxon formula C20H32O4 ChemAxon inchi InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+/t19-/m0/s1 ChemAxon inchikey JNUUNUQHXIOFDA-CABOLEKPSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 102.82 ChemAxon polarizability 39.47 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 4 ChemAxon donor_count 2 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::MsMs 1263550 Specdb::MsMs 1263551 Specdb::MsMs 1263552 Specdb::MsMs 1378639 Specdb::MsMs 1378640 Specdb::MsMs 1378641 11544587 Arachidonic acid 5-hydroperoxide