1.0 2016-09-30 23:15:28 UTC 2020-04-22 15:15:23 UTC BMDB0005102 BMDB05102 Prostaglandin D1 5-Hydroxy-2-(3-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoic acid PGD1 5-Hydroxy-2-(3-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoate (13E,15S)-9alpha,15-Dihydroxy-11-oxoprost-13-en-1-Oate (13E,15S)-9alpha,15-Dihydroxy-11-oxoprost-13-en-1-Oic acid 11-dehydro-Prostaglandin F1a 2-Hydroxy-5-(3S-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoate 2-Hydroxy-5-(3S-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoic acid 5-Hydroxy-2-(3-hydroxy-1-octenyl)-3-oxo-cyclopentaneheptanoate 5-Hydroxy-2-(3-hydroxy-1-octenyl)-3-oxo-cyclopentaneheptanoic acid 9a,15-Dihydroxy-11-ketoprost-13-enoate 9a,15-Dihydroxy-11-ketoprost-13-enoic acid 9S,15S-Dihydroxy-11-oxo-13E-prostaenoate 9S,15S-Dihydroxy-11-oxo-13E-prostaenoic acid Prostaglandin D1 C20H34O5 354.481 354.240624198 7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]heptanoic acid prostaglandin D1 17968-82-0 CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=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/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1 CIMMACURCPXICP-PNQRDDRVSA-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 Fatty alcohols Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Alcohol Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cyclic ketone Cyclopentanol Fatty alcohol Hydrocarbon derivative Hydroxy 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 D Solid logp 3.172 logp 3.12 ALOGPS logs -3.67 ALOGPS logp 3.59 ChemAxon pka_strongest_acidic 4.45 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]heptanoic acid ChemAxon average_mass 354.481 ChemAxon mono_mass 354.240624198 ChemAxon smiles CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=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/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1 ChemAxon inchikey CIMMACURCPXICP-PNQRDDRVSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 98.32 ChemAxon polarizability 42.16 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 5 ChemAxon donor_count 3 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 21583 Specdb::CMs 38865 Specdb::CMs 153808 Specdb::MsMs 313990 Specdb::MsMs 313991 Specdb::MsMs 313992 Specdb::MsMs 359620 Specdb::MsMs 359621 Specdb::MsMs 359622 Specdb::MsMs 2459488 Specdb::MsMs 2459489 Specdb::MsMs 2459490 Specdb::MsMs 2475701 Specdb::MsMs 2475702 Specdb::MsMs 2475703 4444438 FDB023631 5280936 27696 C06438