2.0 2015-06-08 15:03:52 -0600 2015-07-23 12:07:27 -0600 ECMDB23855 M2MDB005447 Protein tyrosine (-)-Prostaglandin e2 (15S)-Prostaglandin e2 (5Z,11a,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-Oate (5Z,11a,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-Oic acid (5Z,11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-Oate (5Z,11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-Oic acid (5Z,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-Oate (5Z,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-Oic acid (5Z,13E)-(15S)-11a,15-Dihydroxy-9-oxoprost-13-enoate (5Z,13E)-(15S)-11a,15-Dihydroxy-9-oxoprost-13-enoic acid (5Z,13E)-(15S)-11a,15-Dihydroxy-9-oxoprosta-5,13-dienoate (5Z,13E)-(15S)-11a,15-Dihydroxy-9-oxoprosta-5,13-dienoic acid (5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate (5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoic acid (5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprosta-5,13-dienoate (5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprosta-5,13-dienoic acid (5Z,13E)-(15S)-11α,15-dihydroxy-9-oxoprost-13-enoate (5Z,13E)-(15S)-11α,15-dihydroxy-9-oxoprost-13-enoic acid (5Z,13E)-(15S)-11α,15-dihydroxy-9-oxoprosta-5,13-dienoate (5Z,13E)-(15S)-11α,15-dihydroxy-9-oxoprosta-5,13-dienoic acid (5Z,13E,15S)-11-a,15-Dihydroxy-9-oxoprost-5,13-dienoate (5Z,13E,15S)-11-a,15-Dihydroxy-9-oxoprost-5,13-dienoic acid (5Z,13E,15S)-11-alpha,15-Dihydroxy-9-oxoprost-5,13-dienoate (5Z,13E,15S)-11-alpha,15-Dihydroxy-9-oxoprost-5,13-dienoic acid (5Z,13E,15S)-11-α,15-Dihydroxy-9-oxoprost-5,13-dienoate (5Z,13E,15S)-11-α,15-Dihydroxy-9-oxoprost-5,13-dienoic acid (e,Z)-(1R,2R,3R)-7-(3-Hydroxy-2-((3S)-(3-hydroxy-1-octenyl))-5-oxocyclopentyl)-5-heptenoate (e,Z)-(1R,2R,3R)-7-(3-Hydroxy-2-((3S)-(3-hydroxy-1-octenyl))-5-oxocyclopentyl)-5-heptenoic acid (Z)-7-((1R,2R,3R)-3-Hydroxy-2-((S,e)-3-hydroxyoct-1-enyl)-5-oxocyclopentyl)hept-5-enoate (Z)-7-((1R,2R,3R)-3-Hydroxy-2-((S,e)-3-hydroxyoct-1-enyl)-5-oxocyclopentyl)hept-5-enoic acid 5-trans-PGE2 Dinoproston Dinoprostona Dinoprostonum Glandin L-Prostaglandin e2 Minprositin e2 Minprostin e2 PGE2 Prepidil Propess Prostaglandin e Prostaglandin e2a Prostaglandin e2alpha Prostaglandin e2α Prostarmon e Prostin Prostin e2 C20H32O5 352.4651 352.224974134 (5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoic acid dinoprostone CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O InChI=1S/C20H32O5/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/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1 XEYBRNLFEZDVAW-ARSRFYASSA-N logp 3.31 ALOGPS logs -3.90 ALOGPS solubility 4.40e-02 g/l ALOGPS logp 3.23 ChemAxon pka_strongest_acidic 4.3 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoic acid ChemAxon average_mass 352.4651 ChemAxon mono_mass 352.224974134 ChemAxon smiles CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O ChemAxon formula C20H32O5 ChemAxon inchi InChI=1S/C20H32O5/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/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1 ChemAxon inchikey XEYBRNLFEZDVAW-ARSRFYASSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 99.44 ChemAxon polarizability 41 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2128 Specdb::CMs 14843 Specdb::CMs 31295 Specdb::CMs 37981 Specdb::CMs 130882 Specdb::CMs 138616 Specdb::NmrOneD 1664 Specdb::MsMs 6304 Specdb::MsMs 6305 Specdb::MsMs 6306 Specdb::MsMs 6307 Specdb::MsMs 6308 Specdb::MsMs 6309 Specdb::MsMs 6310 Specdb::MsMs 6311 Specdb::MsMs 6312 Specdb::MsMs 258636 Specdb::MsMs 258637 Specdb::MsMs 258638 Specdb::MsMs 278574 Specdb::MsMs 278575 Specdb::MsMs 278576 Specdb::MsMs 435539 Specdb::MsMs 435540 Specdb::MsMs 435541 Specdb::MsMs 435542 Specdb::MsMs 435543 Specdb::MsMs 435544 Specdb::MsMs 435545 Specdb::MsMs 435546 Specdb::MsMs 435547 Specdb::MsMs 440666 Specdb::NmrTwoD 1605 C00585 Protein tyrosine phosphate + Water <> Protein tyrosine + Phosphate R02585