1.0 2016-09-30 23:01:57 UTC 2020-05-11 20:45:21 UTC BMDB0002886 BMDB02886 6-Keto-prostaglandin F1a 6-Keto-PGF1a 6-Keto-PGF1alpha 6-Keto-prostaglandin F1alpha 6-Ketoprostaglandin F1alpha 6-oxo-PGF1alpha 6-oxo-Prostaglandin F1alpha 6-Keto-PGF1α 6-Keto-prostaglandin F1α 6-Ketoprostaglandin F1a 6-Ketoprostaglandin F1α 6-oxo-PGF1a 6-oxo-PGF1Α 6-oxo-Prostaglandin F1a 6-oxo-Prostaglandin F1α 6 oxo PGF1 alpha 6 Oxoprostaglandin F1 alpha 6-Keto-PGF1 alpha 6-oxo-PGF1 alpha F1 alpha, 6-Oxoprostaglandin alpha, 6-Keto-PGF1 alpha, 6-Oxoprostaglandin F1 6 Keto PGF1 alpha 6-Ketoprostaglandin F1 alpha 6-Oxoprostaglandin F1 alpha F1 alpha, 6-Ketoprostaglandin alpha, 6-Ketoprostaglandin F1 alpha, 6-oxo-PGF1 6 Ketoprostaglandin F1 alpha 6-Oxoprostaglandin F1alpha 6-Oxoprostaglandin F1a 6-Oxoprostaglandin F1α 6-oxo-9S,11R,15S-Trihydroxy-13E-prostenoate 6-oxo-9S,11R,15S-Trihydroxy-13E-prostenoic acid C20H34O6 370.4804 370.23553882 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-6-oxoheptanoic acid 6 keto PGF1 α 58962-34-8 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1 KFGOFTHODYBSGM-ZUNNJUQCSA-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 Fatty alcohols Hydrocarbon derivatives Hydroxy fatty acids Keto fatty acids Ketones 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 alcohol Hydrocarbon derivative Hydroxy fatty acid Keto 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 Prostaglandins prostaglandins Falpha Solid logp 1.75 ALOGPS logs -2.91 ALOGPS logp 1.79 ChemAxon pka_strongest_acidic 4.14 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-6-oxoheptanoic acid ChemAxon average_mass 370.4804 ChemAxon mono_mass 370.23553882 ChemAxon smiles CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O ChemAxon formula C20H34O6 ChemAxon inchi InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1 ChemAxon inchikey KFGOFTHODYBSGM-ZUNNJUQCSA-N ChemAxon polar_surface_area 115.06 ChemAxon refractivity 100 ChemAxon polarizability 42.48 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 6 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 2145 Specdb::CMs 26578 Specdb::CMs 31428 Specdb::CMs 38489 Specdb::CMs 146545 Specdb::MsMs 105576 Specdb::MsMs 105577 Specdb::MsMs 105578 Specdb::MsMs 172095 Specdb::MsMs 172096 Specdb::MsMs 172097 Specdb::MsMs 2676403 Specdb::MsMs 2676404 Specdb::MsMs 2676405 Specdb::MsMs 3029411 Specdb::MsMs 3029412 Specdb::MsMs 3029413 Adipose Tissue Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Kidney Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Liver Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Platelet Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C05961 4444411 5280888 FDB023077 28158 6782