1.0 2016-09-30 23:15:11 UTC 2020-04-22 15:15:17 UTC BMDB0005076 BMDB05076 13,14-Dihydro PGF-1a 13,14-dihydro PGF-1alpha 7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]heptanoate C20H38O5 358.5127 358.271924326 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]heptanoic acid 13,14-dihydro pgf-1α CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O InChI=1S/C20H38O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-19,21-23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,18-,19+/m0/s1 WMHAOJIJVNDMKA-BRIYLRKRSA-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 Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Cyclopentanols Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Alcohol Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cyclopentanol Fatty acid Hydrocarbon derivative Hydroxy fatty acid Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Prostaglandin skeleton Secondary alcohol Aliphatic homomonocyclic compounds Solid logp 3.97 ALOGPS logs -3.46 ALOGPS logp 3.18 ChemAxon pka_strongest_acidic 4.36 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]heptanoic acid ChemAxon average_mass 358.5127 ChemAxon mono_mass 358.271924326 ChemAxon smiles CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O ChemAxon formula C20H38O5 ChemAxon inchi InChI=1S/C20H38O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-19,21-23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,18-,19+/m0/s1 ChemAxon inchikey WMHAOJIJVNDMKA-BRIYLRKRSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 98.39 ChemAxon polarizability 43.32 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 5 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 26172 Specdb::CMs 38851 Specdb::CMs 151473 Specdb::MsMs 323977 Specdb::MsMs 323978 Specdb::MsMs 323979 Specdb::MsMs 372277 Specdb::MsMs 372278 Specdb::MsMs 372279 Specdb::MsMs 2300151 Specdb::MsMs 2300152 Specdb::MsMs 2300153 Specdb::MsMs 2638819 Specdb::MsMs 2638820 Specdb::MsMs 2638821 4470758 FDB023617 155467 5311239