1.0 2016-09-30 23:03:19 UTC 2020-04-22 15:11:53 UTC BMDB0003247 BMDB03247 20-Hydroxy-PGE2 (5Z,11alpha,13E,15S)-11,15,20-Trihydroxy-9-oxoprosta-5,13-dien-1-Oic acid 20-Hydroxy prostaglandin e2 20-Hydroxy-prostaglandin e2 20-OH-PGE2 9-oxo-11R,15S,20-Trihydroxy-5Z,13E-prostadienoic acid (5Z,11a,13E,15S)-11,15,20-Trihydroxy-9-oxoprosta-5,13-dien-1-Oate (5Z,11a,13E,15S)-11,15,20-Trihydroxy-9-oxoprosta-5,13-dien-1-Oic acid (5Z,11alpha,13E,15S)-11,15,20-Trihydroxy-9-oxoprosta-5,13-dien-1-Oate (5Z,11Α,13E,15S)-11,15,20-trihydroxy-9-oxoprosta-5,13-dien-1-Oate (5Z,11Α,13E,15S)-11,15,20-trihydroxy-9-oxoprosta-5,13-dien-1-Oic acid 9-oxo-11R,15S,20-Trihydroxy-5Z,13E-prostadienoate (5Z,11(alpha),13E,15S)-11,15-Dihydroxy-9-oxo-prosta-5,13-dien-1-Oate (5Z,11(alpha),13E,15S)-11,15-Dihydroxy-9-oxo-prosta-5,13-dien-1-Oic acid 20-Hydroxyprostaglandin e2 20-Hydroxy-pge2 C20H32O6 368.4645 368.219888756 (5Z)-7-[(1R,2R,3R)-2-[(1E,3S)-3,8-dihydroxyoct-1-en-1-yl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid 20-Hydroxy-PGE2 57930-95-7 OCCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O InChI=1S/C20H32O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-17,19,21-22,24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,19+/m0/s1 AZIGEYVZEVXWAD-NZGURKHLSA-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 Primary alcohols 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 Primary alcohol Prostaglandin skeleton Secondary alcohol Unsaturated fatty acid Aliphatic homomonocyclic compounds Prostaglandins Solid logp 2.02 ALOGPS logs -3.20 ALOGPS logp 1.79 ChemAxon pka_strongest_acidic 4.3 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac (5Z)-7-[(1R,2R,3R)-2-[(1E,3S)-3,8-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 OCCCCC[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/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-17,19,21-22,24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,19+/m0/s1 ChemAxon inchikey AZIGEYVZEVXWAD-NZGURKHLSA-N ChemAxon polar_surface_area 115.06 ChemAxon refractivity 101.36 ChemAxon polarizability 41.56 ChemAxon rotatable_bond_count 13 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::CMs 26272 Specdb::CMs 38555 Specdb::CMs 169287 Specdb::MsMs 324196 Specdb::MsMs 324197 Specdb::MsMs 324198 Specdb::MsMs 372553 Specdb::MsMs 372554 Specdb::MsMs 372555 Specdb::MsMs 2715823 Specdb::MsMs 2715824 Specdb::MsMs 2715825 Specdb::MsMs 2966979 Specdb::MsMs 2966980 Specdb::MsMs 2966981 FDB023129 4446161 5283034 137370 3814