1.0 2016-09-30 22:46:34 UTC 2020-04-22 15:08:23 UTC BMDB0001483 BMDB01483 Prostaglandin F2b 5-Heptenoic acid, 7-[3,5-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl]-, stereoisomer 9beta,11alpha-PGF2a 9beta,11alpha-PGF2alpha PGF2b PGF2beta Prostaglandin F2-beta 5-Heptenoate, 7-[3,5-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl]-, stereoisomer 9b,11a-PGF2a 9Β,11α-PGF2a 9Β,11α-PGF2α PGF2Β Prostaglandin F2-b Prostaglandin F2-β (5Z,13E)-9,11,15-Trihydroxy-prosta-5,13-dien-1-Oate (5Z,13E)-9,11,15-Trihydroxy-prosta-5,13-dien-1-Oic acid 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoate 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid stereoisomer 7-[3a,5b-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoate 7-[3a,5b-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid 9b,11a-PGF2 Prostaglandin F2beta Prostaglandin F2beta, (5Z,8beta,9beta,11alpha,12alpha,13E,15S)-isomer Prostaglandin F2beta, (5Z,9beta,11beta,13E,15S)-isomer Prostaglandin F2beta, (5Z,9beta,11beta,13E,15R)-isomer Prostaglandin F2b Prostaglandin F2β C20H34O5 354.481 354.240624198 (5Z)-7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]hept-5-enoic acid pgf(sub 2-β) 4510-16-1 CCCCC[C@H](O)\C=C\[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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19+/m0/s1 PXGPLTODNUVGFL-JZFBHDEDSA-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 Unsaturated fatty acids 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 Unsaturated fatty acid Aliphatic homomonocyclic compounds Prostaglandins Prostaglandins prostaglandins Fbeta Solid logp 4.39 BODOR,H & HUANG,M (1992) logp 3.11 ALOGPS logs -3.48 ALOGPS logp 2.61 ChemAxon pka_strongest_acidic 4.36 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (5Z)-7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]hept-5-enoic acid ChemAxon average_mass 354.481 ChemAxon mono_mass 354.240624198 ChemAxon smiles CCCCC[C@H](O)\C=C\[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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19+/m0/s1 ChemAxon inchikey PXGPLTODNUVGFL-JZFBHDEDSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 100.47 ChemAxon polarizability 40.86 ChemAxon rotatable_bond_count 12 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 12437 Specdb::CMs 38090 Specdb::CMs 147389 Specdb::MsMs 293377 Specdb::MsMs 293378 Specdb::MsMs 293379 Specdb::MsMs 333838 Specdb::MsMs 333839 Specdb::MsMs 333840 Specdb::MsMs 2748871 Specdb::MsMs 2748872 Specdb::MsMs 2748873 Specdb::MsMs 2932599 Specdb::MsMs 2932600 Specdb::MsMs 2932601 C02314 FDB022647 4444144 28922 5280506