1.0 2016-09-30 22:48:55 UTC 2020-04-22 15:09:06 UTC BMDB0001908 BMDB01908 19-Hydroxy-PGE2 19(R)-Hydroxy-pge2 19(R)-Hydroxy-prostaglandin e2 19R-19-Hydroxy pge-2 9-oxo-11R,15S,19R-Trihydroxy-5Z,13E-prostadienoate 9-oxo-11R,15S,19R-Trihydroxy-5Z,13E-prostadienoic acid Eganoprost 19-Hydroxyprostaglandin e2 19-Hydroxy-pge2 C20H32O6 368.4645 368.219888756 (5Z)-7-[(1R,2R,3R)-2-[(1E,3S,7R)-3,7-dihydroxyoct-1-en-1-yl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid 19-hydroxy-PGE2 55123-68-7 C[C@@H](O)CCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O InChI=1S/C20H32O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h2,4,11-12,14-17,19,21-22,24H,3,5-10,13H2,1H3,(H,25,26)/b4-2-,12-11+/t14-,15+,16-,17-,19-/m1/s1 WTJYDBMHYPQFNJ-ZUVVJKHESA-N belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Prostaglandins and related compounds Carboxylic acids Cyclic alcohols and derivatives Cyclic ketones Cyclopentanols Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Alcohol Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cyclic ketone Cyclopentanol Fatty acid Hydrocarbon derivative Hydroxy fatty acid Ketone Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Prostaglandin skeleton Secondary alcohol Unsaturated fatty acid Aliphatic homomonocyclic compounds Prostaglandins Solid logp 1.99 ALOGPS logs -3.20 ALOGPS logp 1.76 ChemAxon pka_strongest_acidic 4.3 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (5Z)-7-[(1R,2R,3R)-2-[(1E,3S,7R)-3,7-dihydroxyoct-1-en-1-yl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid ChemAxon average_mass 368.4645 ChemAxon mono_mass 368.219888756 ChemAxon smiles C[C@@H](O)CCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O ChemAxon formula C20H32O6 ChemAxon inchi InChI=1S/C20H32O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h2,4,11-12,14-17,19,21-22,24H,3,5-10,13H2,1H3,(H,25,26)/b4-2-,12-11+/t14-,15+,16-,17-,19-/m1/s1 ChemAxon inchikey WTJYDBMHYPQFNJ-ZUVVJKHESA-N ChemAxon polar_surface_area 115.06 ChemAxon refractivity 101.18 ChemAxon polarizability 41.84 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 322084 Specdb::MsMs 322085 Specdb::MsMs 322086 Specdb::MsMs 369889 Specdb::MsMs 369890 Specdb::MsMs 369891 Specdb::MsMs 2834019 Specdb::MsMs 2834020 Specdb::MsMs 2834021 Specdb::MsMs 2871422 Specdb::MsMs 2871423 Specdb::MsMs 2871424 Specdb::CMs 25335 Specdb::CMs 38182 Specdb::CMs 152382 FDB022733 5283038 4446165