1.0 2011-09-21 01:52:52 UTC 2015-07-21 06:59:40 UTC FDB029266 Prostaglandin H1 Prostaglandin H1 (PGH1) is the precursor to all 1-series thromboxanes, and is a suicide inhibitor of platelet thromboxane synthase, possessing a Ki of 28 mM.2 PGH1 also acts on the aryl hydrocarbon receptor (AhR) by stimulating AhR transformation and DNA binding in vitro. It also induces AhR-dependent reporter gene expression in mouse hepatoma cells in culture.3 Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs) and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes) and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signaling pathways. [HMDB] 9alpha,11alpha-epidioxy-15(S)-hydroxy-13-trans-prostenoate 9alpha,11alpha-epidioxy-15(S)-hydroxy-13-trans-prostenoic acid PGH(,1) C20H34O5 354.481 354.240624198 7-[(1S,4R,5S,6S)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]heptanoic acid 7-[(1S,4R,5S,6S)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]heptanoic acid CCCCC[C@H](O)\C=C\[C@@H]1[C@@H]2C[C@@H](OO2)[C@H]1CCCCCCC(O)=O InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/b13-12+/t15-,16-,17-,18+,19-/m0/s1 NTAYABHEVAQSJS-NDWDMBLISA-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 heteropolycyclic compounds 1,2-dioxanes 1,2-dioxolanes Carbonyl compounds Carboxylic acids Dialkyl peroxides Fatty alcohols Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Oxacyclic compounds Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl peroxide Fatty alcohol Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Ortho-dioxane Ortho-dioxolane Oxacycle Prostaglandin skeleton Secondary alcohol Solid logp 4.37 ALOGPS logs -4.32 ALOGPS solubility 1.72e-02 g/l ALOGPS logp 4.32 ChemAxon pka_strongest_acidic 4.41 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 7-[(1S,4R,5S,6S)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]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]2C[C@@H](OO2)[C@H]1CCCCCCC(O)=O ChemAxon formula C20H34O5 ChemAxon inchi InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/b13-12+/t15-,16-,17-,18+,19-/m0/s1 ChemAxon inchikey NTAYABHEVAQSJS-NDWDMBLISA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 96.93 ChemAxon polarizability 41.56 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21814 Specdb::CMs 40044 Specdb::CMs 155497 Specdb::MsMs 314470 Specdb::MsMs 314471 Specdb::MsMs 314472 Specdb::MsMs 360223 Specdb::MsMs 360224 Specdb::MsMs 360225 Specdb::MsMs 2730463 Specdb::MsMs 2730464 Specdb::MsMs 2730465 Specdb::MsMs 2974793 Specdb::MsMs 2974794 Specdb::MsMs 2974795 HMDB13041