1.0 2010-04-08 22:05:54 UTC 2019-11-26 02:59:28 UTC FDB003668 Prostaglandin A-1 Prostaglandin a-1 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 a-1 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Prostaglandin a-1 can be found in garden onion and soft-necked garlic, which makes prostaglandin a-1 a potential biomarker for the consumption of these food products. C20H32O4 336.4657 336.230059512 7-{2-[(1Z)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-3-en-1-yl}heptanoic acid 7-{2-[(1Z)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-3-en-1-yl}heptanoic acid CCCCCC(O)\C=C/C1C=CC(=O)C1CCCCCCC(O)=O InChI=1S/C20H32O4/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/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12- BGKHCLZFGPIKKU-OWBHPGMISA-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 Fatty alcohols Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone 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 logp 4.21 ALOGPS logs -4.35 ALOGPS solubility 1.49e-02 g/l ALOGPS logp 4.74 ChemAxon pka_strongest_acidic 4.45 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 7-{2-[(1Z)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-3-en-1-yl}heptanoic acid ChemAxon average_mass 336.4657 ChemAxon mono_mass 336.230059512 ChemAxon smiles CCCCCC(O)\C=C/C1C=CC(=O)C1CCCCCCC(O)=O ChemAxon formula C20H32O4 ChemAxon inchi InChI=1S/C20H32O4/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/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12- ChemAxon inchikey BGKHCLZFGPIKKU-OWBHPGMISA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 97.97 ChemAxon polarizability 39.65 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 86349 Specdb::MsMs 86350 Specdb::MsMs 86351 Specdb::MsMs 148629 Specdb::MsMs 148630 Specdb::MsMs 148631 Specdb::MsMs 3599348 Specdb::MsMs 3599349 Specdb::MsMs 3599350 Specdb::MsMs 3599351 Specdb::MsMs 3599352 Specdb::MsMs 3599353 Garden onion Type 1 specific Allium cepa 4679 0.1 0.1 0.1 mg/100 g Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 Cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. Hypotensive 1021