1.0 2016-09-30 22:55:09 UTC 2020-04-22 15:10:57 UTC BMDB0002400 BMDB02400 Levuglandin D2 9,10-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoate 9,10-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid LGD2 Levuglandin D2 C20H32O5 352.4651 352.224974134 (5Z,8R,9R,10E,12S)-9-acetyl-8-formyl-12-hydroxyheptadeca-5,10-dienoic acid levuglandin D2 CCCCC[C@H](O)\C=C\[C@H]([C@@H](C\C=C/CCCC(O)=O)C=O)C(C)=O InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19-/m0/s1 MLLWPVVMXGUOHD-QNUMDXCLSA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Long-chain fatty acids Aldehydes Branched fatty acids Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Ketones Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Unsaturated fatty acids Alcohol Aldehyde Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy fatty acid Ketone Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Unsaturated fatty acid Aliphatic acyclic compounds Levuglandins Levuglandins levuglandin Solid logp 3.52 ALOGPS logs -4.16 ALOGPS logp 3.36 ChemAxon pka_strongest_acidic 4.51 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (5Z,8R,9R,10E,12S)-9-acetyl-8-formyl-12-hydroxyheptadeca-5,10-dienoic acid ChemAxon average_mass 352.4651 ChemAxon mono_mass 352.224974134 ChemAxon smiles CCCCC[C@H](O)\C=C\[C@H]([C@@H](C\C=C/CCCC(O)=O)C=O)C(C)=O ChemAxon formula C20H32O5 ChemAxon inchi InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19-/m0/s1 ChemAxon inchikey MLLWPVVMXGUOHD-QNUMDXCLSA-N ChemAxon polar_surface_area 91.67 ChemAxon refractivity 100.54 ChemAxon polarizability 40.42 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 10377 Specdb::CMs 38412 Specdb::CMs 130702 Specdb::CMs 138436 Specdb::MsMs 288886 Specdb::MsMs 288887 Specdb::MsMs 288888 Specdb::MsMs 328147 Specdb::MsMs 328148 Specdb::MsMs 328149 Specdb::MsMs 2788459 Specdb::MsMs 2788460 Specdb::MsMs 2788461 Specdb::MsMs 2920022 Specdb::MsMs 2920023 Specdb::MsMs 2920024 FDB022996 7827799 9548876 34820 C13808 Levuglandin