1.0 2016-09-30 23:23:23 UTC 2020-04-22 15:17:52 UTC BMDB0006562 BMDB06562 8-iso-13,14-dihydro-15-keto-PGF2a (5Z,8b,9a,11a)-9,11-Dihydroxy-15-oxo-prost-5-en-1-Oate (5Z,8b,9a,11a)-9,11-Dihydroxy-15-oxo-prost-5-en-1-Oic acid 9S,11R-Dihydroxy-15-oxo-5Z-prostaenoate 9S,11R-Dihydroxy-15-oxo-5Z-prostaenoic acid 9S,11R-Dihydroxy-15-oxo-5Z-prostaenoic acid-cyclo[8S,12R] 8-Iso-13,14-dihydro-15-keto-PGF2α 8-Iso-13,14-dihydro-15-keto-PGF2a C20H34O5 354.481 354.240624198 (5Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid (5Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid 191919-02-5 CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O InChI=1S/C20H34O5/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/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17+,18-,19+/m0/s1 VKTIONYPMSCHQI-JPRPWBOBSA-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 Cyclopentanols Hydrocarbon derivatives Hydroxy fatty acids Ketones 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 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 Isoprostanes Solid logp 3.12 ALOGPS logs -3.52 ALOGPS logp 3.02 ChemAxon pka_strongest_acidic 4.31 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (5Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid ChemAxon average_mass 354.481 ChemAxon mono_mass 354.240624198 ChemAxon smiles CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O ChemAxon formula C20H34O5 ChemAxon inchi InChI=1S/C20H34O5/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/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17+,18-,19+/m0/s1 ChemAxon inchikey VKTIONYPMSCHQI-JPRPWBOBSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 98.48 ChemAxon polarizability 41.28 ChemAxon rotatable_bond_count 13 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 25306 Specdb::CMs 39042 Specdb::CMs 137168 Specdb::CMs 144902 Specdb::MsMs 322021 Specdb::MsMs 322022 Specdb::MsMs 322023 Specdb::MsMs 369808 Specdb::MsMs 369809 Specdb::MsMs 369810 Specdb::MsMs 2672561 Specdb::MsMs 2672562 Specdb::MsMs 2672563 Specdb::MsMs 3032240 Specdb::MsMs 3032241 Specdb::MsMs 3032242 4446335 FDB023973 5283214