1.0 2010-04-08 22:05:54 UTC 2025-11-18 22:53:31 UTC FDB003671 Prostaglandin B-2 Prostaglandin b-2 is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds 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. Prostaglandin b-2 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Prostaglandin b-2 can be found in soft-necked garlic, which makes prostaglandin b-2 a potential biomarker for the consumption of this food product. C20H30O4 334.4498 334.214409448 (5E)-7-{2-[(1E)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}hept-5-enoic acid prostaglandin b2 (substance) CCCCCC(O)\C=C\C1=C(C\C=C\CCCC(O)=O)C(=O)CC1 InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4+,14-12+ PRFXRIUZNKLRHM-BMZFSJBMSA-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. Prostaglandins and related compounds Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Aliphatic homomonocyclic compounds Carboxylic acids Cyclic ketones Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Unsaturated fatty acids Alcohol Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone 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 logp 4.07 ALOGPS logs -4.05 ALOGPS solubility 2.99e-02 g/l ALOGPS logp 4.18 ChemAxon pka_strongest_acidic 4.25 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (5E)-7-{2-[(1E)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}hept-5-enoic acid ChemAxon average_mass 334.4498 ChemAxon mono_mass 334.214409448 ChemAxon smiles CCCCCC(O)\C=C\C1=C(C\C=C\CCCC(O)=O)C(=O)CC1 ChemAxon formula C20H30O4 ChemAxon inchi InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4+,14-12+ ChemAxon inchikey PRFXRIUZNKLRHM-BMZFSJBMSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 98.61 ChemAxon polarizability 39.66 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 102588 Specdb::MsMs 102589 Specdb::MsMs 102590 Specdb::MsMs 168435 Specdb::MsMs 168436 Specdb::MsMs 168437 Specdb::MsMs 3599363 Specdb::MsMs 3599364 Specdb::MsMs 3599365 Specdb::MsMs 3599366 Specdb::MsMs 3599367 Specdb::MsMs 3599368 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682