1.0 2016-10-03 18:32:27 UTC 2020-04-22 15:48:30 UTC BMDB0012110 BMDB12110 5(6)-Epoxy Prostaglandin E1 5(6)-Epoxy pge1 Prostaglandins C20H32O6 368.4645 368.219888756 4-(3-{[(1S,2S,3S)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]methyl}oxiran-2-yl)butanoic acid 4-(3-{[(1S,2S,3S)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]methyl}oxiran-2-yl)butanoic acid CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](O)CC(=O)[C@H]1CC1OC1CCCC(O)=O InChI=1S/C20H32O6/c1-2-3-4-6-13(21)9-10-14-15(17(23)12-16(14)22)11-19-18(26-19)7-5-8-20(24)25/h9-10,13-16,18-19,21-22H,2-8,11-12H2,1H3,(H,24,25)/b10-9+/t13-,14-,15-,16-,18?,19?/m0/s1 CBOBGOJUDRNUHE-HHECASJMSA-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 Dialkyl ethers Epoxides Epoxy fatty acids Fatty alcohols Hydrocarbon derivatives Hydroxy fatty acids Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Short-chain hydroxy acids and derivatives Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cyclic ketone Cyclopentanol Dialkyl ether Epoxy fatty acid Ether Fatty alcohol Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Prostaglandin skeleton Secondary alcohol Short-chain hydroxy acid Aliphatic heteromonocyclic compounds Solid logp 1.87 ALOGPS logs -3.00 ALOGPS logp 2.29 ChemAxon pka_strongest_acidic 4.08 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 4-(3-{[(1S,2S,3S)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]methyl}oxiran-2-yl)butanoic acid ChemAxon average_mass 368.4645 ChemAxon mono_mass 368.219888756 ChemAxon smiles CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](O)CC(=O)[C@H]1CC1OC1CCCC(O)=O ChemAxon formula C20H32O6 ChemAxon inchi InChI=1S/C20H32O6/c1-2-3-4-6-13(21)9-10-14-15(17(23)12-16(14)22)11-19-18(26-19)7-5-8-20(24)25/h9-10,13-16,18-19,21-22H,2-8,11-12H2,1H3,(H,24,25)/b10-9+/t13-,14-,15-,16-,18?,19?/m0/s1 ChemAxon inchikey CBOBGOJUDRNUHE-HHECASJMSA-N ChemAxon polar_surface_area 107.36 ChemAxon refractivity 97.84 ChemAxon polarizability 41.94 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 26415 Specdb::CMs 39814 Specdb::CMs 155739 Specdb::MsMs 324565 Specdb::MsMs 324566 Specdb::MsMs 324567 Specdb::MsMs 373003 Specdb::MsMs 373004 Specdb::MsMs 373005 Specdb::MsMs 2795807 Specdb::MsMs 2795808 Specdb::MsMs 2795809 Specdb::MsMs 2887199 Specdb::MsMs 2887200 Specdb::MsMs 2887201 FDB028774 35032400 53481368 BMDBP01916 Solute carrier organic anion transporter family member 3A1 Q8HYW2 SLCO3A1 Enzyme