1.0 2016-09-30 23:02:31 UTC 2020-04-22 15:11:38 UTC BMDB0003034 BMDB03034 Prostaglandin D3 (5Z)-7-[(1R,2R,5S)-5-Hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-3-oxocyclopentyl]hept-5-enoic acid (5Z,13E,15S,17Z)-9alpha,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-Oic acid 9S,15S-Dihydroxy-11-oxo-5Z,13E,17Z-prostatrienoic acid (5Z)-7-[(1R,2R,5S)-5-Hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-3-oxocyclopentyl]hept-5-enoate (5Z,13E,15S,17Z)-9a,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-Oate (5Z,13E,15S,17Z)-9a,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-Oic acid (5Z,13E,15S,17Z)-9alpha,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-Oate (5Z,13E,15S,17Z)-9Α,15-dihydroxy-11-oxoprosta-5,13,17-trien-1-Oate (5Z,13E,15S,17Z)-9Α,15-dihydroxy-11-oxoprosta-5,13,17-trien-1-Oic acid 9S,15S-Dihydroxy-11-oxo-5Z,13E,17Z-prostatrienoate PGD3 Prostaglandin D3 C20H30O5 350.4492 350.20932407 (5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-3-oxocyclopentyl]hept-5-enoic acid prostaglandin D3 71902-47-1 CC\C=C/C[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O InChI=1S/C20H30O5/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/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-/m0/s1 ANOICLBSJIMQTA-WXGBOJPQSA-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 Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Alcohol Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cyclic ketone Cyclopentanol Fatty acid 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 Unsaturated fatty acid Aliphatic homomonocyclic compounds Prostaglandins Prostaglandins prostaglandins D Solid logp 2.88 ALOGPS logs -3.62 ALOGPS logp 2.86 ChemAxon pka_strongest_acidic 4.4 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-3-oxocyclopentyl]hept-5-enoic acid ChemAxon average_mass 350.4492 ChemAxon mono_mass 350.20932407 ChemAxon smiles CC\C=C/C[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O ChemAxon formula C20H30O5 ChemAxon inchi InChI=1S/C20H30O5/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/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-/m0/s1 ChemAxon inchikey ANOICLBSJIMQTA-WXGBOJPQSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 100.55 ChemAxon polarizability 39.67 ChemAxon rotatable_bond_count 11 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 16066 Specdb::CMs 38512 Specdb::CMs 169676 Specdb::MsMs 301606 Specdb::MsMs 301607 Specdb::MsMs 301608 Specdb::MsMs 344146 Specdb::MsMs 344147 Specdb::MsMs 344148 Specdb::MsMs 2345003 Specdb::MsMs 2345004 Specdb::MsMs 2345005 Specdb::MsMs 2589802 Specdb::MsMs 2589803 Specdb::MsMs 2589804 C13802 FDB023097 4445434 5282260 34939 2560