1.0 2016-09-30 23:01:16 UTC 2020-04-22 15:11:16 UTC BMDB0002689 BMDB02689 13,14-Dihydro PGE1 (15S)-Dihydroprostaglandin e1 11,15-Dihydroxy-9-ketoprostanoate 11,15-Dihydroxy-9-ketoprostanoic acid 11a,15-Dihydroxy-9-oxoprostanoate 11a,15-Dihydroxy-9-oxoprostanoic acid 13,14-dihydro-PGE1 13,14-Dihydroprostaglandin e1 3-Hydroxy-2-(3-hydroxyoctyl)-5-oxo-cyclopentaneheptanoate 3-Hydroxy-2-(3-hydroxyoctyl)-5-oxo-cyclopentaneheptanoic acid dihydro-PGE1 Dihydroprostaglandin e1 PGE0 Prostaglandin e0 C20H36O5 356.4968 356.256274262 7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoic acid dihydro-pge1 19313-28-1 CCCCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O InChI=1S/C20H36O5/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/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1 DPOINJQWXDTOSF-DODZYUBVSA-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 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 Aliphatic homomonocyclic compounds Prostaglandins Solid logp 3.38 ALOGPS logs -3.67 ALOGPS logp 3.79 ChemAxon pka_strongest_acidic 4.3 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoic acid ChemAxon average_mass 356.4968 ChemAxon mono_mass 356.256274262 ChemAxon smiles CCCCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O ChemAxon formula C20H36O5 ChemAxon inchi InChI=1S/C20H36O5/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/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1 ChemAxon inchikey DPOINJQWXDTOSF-DODZYUBVSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 97.36 ChemAxon polarizability 42.64 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 5 ChemAxon donor_count 3 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 20176 Specdb::CMs 38460 Specdb::CMs 135619 Specdb::CMs 143353 Specdb::MsMs 310948 Specdb::MsMs 310949 Specdb::MsMs 310950 Specdb::MsMs 355819 Specdb::MsMs 355820 Specdb::MsMs 355821 Specdb::MsMs 2357613 Specdb::MsMs 2357614 Specdb::MsMs 2357615 Specdb::MsMs 2604131 Specdb::MsMs 2604132 Specdb::MsMs 2604133 FDB023045 141668 161273 1000694