1.0 2010-04-08 22:05:54 UTC 2019-11-26 02:59:29 UTC FDB003673 Prostaglandin E-2 Prostaglandin e-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 e-2 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Prostaglandin e-2 can be found in soft-necked garlic, which makes prostaglandin e-2 a potential biomarker for the consumption of this food product. C20H32O5 352.4651 352.224974134 (5Z)-7-{3-hydroxy-2-[(1E)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl}hept-5-enoic acid (5Z)-7-{3-hydroxy-2-[(1E)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl}hept-5-enoic acid CCCCCC(O)\C=C\C1C(O)CC(=O)C1C\C=C/CCCC(O)=O InChI=1S/C20H32O5/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/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+ XEYBRNLFEZDVAW-ZQDYKODVSA-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 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 logp 3.31 ALOGPS logs -3.90 ALOGPS solubility 4.40e-02 g/l ALOGPS logp 3.23 ChemAxon pka_strongest_acidic 4.3 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (5Z)-7-{3-hydroxy-2-[(1E)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl}hept-5-enoic acid ChemAxon average_mass 352.4651 ChemAxon mono_mass 352.224974134 ChemAxon smiles CCCCCC(O)\C=C\C1C(O)CC(=O)C1C\C=C/CCCC(O)=O ChemAxon formula C20H32O5 ChemAxon inchi InChI=1S/C20H32O5/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/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+ ChemAxon inchikey XEYBRNLFEZDVAW-ZQDYKODVSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 99.44 ChemAxon polarizability 40.69 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 61848 Specdb::MsMs 61849 Specdb::MsMs 61850 Specdb::MsMs 118467 Specdb::MsMs 118468 Specdb::MsMs 118469 Specdb::MsMs 3599375 Specdb::MsMs 3599376 Specdb::MsMs 3599377 Specdb::MsMs 3599378 Specdb::MsMs 3599379 Specdb::MsMs 3599380 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 abortifacient 13 A chemical substance that interrupts pregnancy after implantation. oxytocic 1185 A drug that stimulates contraction of the myometrium. Oxytocics are used to induce labour, obstetric at term, to prevent or control postpartum or postabortion haemorrhage, and to assess foetal status in high risk pregnancies. They may also be used alone or with other drugs to induce abortions (abortifacients). tumor promoter 1387 A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.