1.0 2016-10-03 17:37:58 UTC 2020-05-21 16:26:38 UTC BMDB0009211 BMDB09211 PE(18:4(6Z,9Z,12Z,15Z)/24:0) PE(18:4(6Z,9Z,12Z,15Z)/24:0), also known as pe(18:4(6z,9z,12z,15z)/24:0) or GPEtn(42:4), belongs to the class of organic compounds known as phosphatidylethanolamines. These are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages. PE(18:4(6Z,9Z,12Z,15Z)/24:0) is possibly soluble (in water) and a very strong basic compound (based on its pKa). PE(18:4(6Z,9Z,12Z,15Z)/24:0) participates in a number of enzymatic reactions, within cattle. In particular, PE(18:4(6Z,9Z,12Z,15Z)/24:0) can be biosynthesized from PS(18:4(6Z,9Z,12Z,15Z)/24:0) through the action of the enzyme phosphatidylserine decarboxylase. Furthermore, Cytidine monophosphate and PE(18:4(6Z,9Z,12Z,15Z)/24:0) can be biosynthesized from CDP-ethanolamine and DG(18:4(6Z,9Z,12Z,15Z)/24:0/0:0); which is catalyzed by the enzyme choline/ethanolaminephosphotransferase. Furthermore, Cytidine monophosphate and PE(18:4(6Z,9Z,12Z,15Z)/24:0) can be biosynthesized from CDP-ethanolamine and DG(18:4(6Z,9Z,12Z,15Z)/24:0/0:0); which is catalyzed by the enzyme choline/ethanolaminephosphotransferase. Finally, PE(18:4(6Z,9Z,12Z,15Z)/24:0) can be biosynthesized from PS(18:4(6Z,9Z,12Z,15Z)/24:0) through its interaction with the enzyme phosphatidylserine decarboxylase. In cattle, PE(18:4(6Z,9Z,12Z,15Z)/24:0) is involved in a couple of metabolic pathways, which include phosphatidylethanolamine biosynthesis pe(18:4(6Z,9Z,12Z,15Z)/24:0) pathway and phosphatidylcholine biosynthesis PC(18:4(6Z,9Z,12Z,15Z)/24:0) pathway. Phophatidylethanolamine(42:4) 1-Stearidonoyl-2-lignoceroyl-sn-glycero-3-phosphoethanolamine GPEtn(42:4) PE(18:4/24:0) PE(42:4) GPEtn(18:4/24:0) 1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-2-tetracosanoyl-sn-glycero-3-phosphoethanolamine Phophatidylethanolamine(18:4/24:0) PE(18:4(6Z,9Z,12Z,15Z)/24:0) C47H86NO8P 824.1614 823.609105245 (2-aminoethoxy)[(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(tetracosanoyloxy)propoxy]phosphinic acid 2-aminoethoxy(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(tetracosanoyloxy)propoxyphosphinic acid [H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,29,31,45H,3-5,7,9-11,13,15-17,19-24,26-28,30,32-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,25-18-,31-29-/t45-/m1/s1 ULRDFNCLYORCAP-FGRCAFLSSA-N belongs to the class of organic compounds known as phosphatidylethanolamines. These are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Phosphatidylethanolamines Amino acids and derivatives Carbonyl compounds Carboxylic acid esters Dialkyl phosphates Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Phosphoethanolamines Aliphatic acyclic compound Alkyl phosphate Amine Amino acid or derivatives Carbonyl group Carboxylic acid derivative Carboxylic acid ester Diacylglycero-3-phosphoethanolamine Dialkyl phosphate Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organonitrogen compound Organooxygen compound Organopnictogen compound Phosphoethanolamine Phosphoric acid ester Primary aliphatic amine Primary amine Aliphatic acyclic compounds Solid logp 9.61 ALOGPS logs -7.22 ALOGPS logp 13.45 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(tetracosanoyloxy)propoxy]phosphinic acid ChemAxon average_mass 824.1614 ChemAxon mono_mass 823.609105245 ChemAxon smiles [H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C47H86NO8P ChemAxon inchi InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,29,31,45H,3-5,7,9-11,13,15-17,19-24,26-28,30,32-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,25-18-,31-29-/t45-/m1/s1 ChemAxon inchikey ULRDFNCLYORCAP-FGRCAFLSSA-N ChemAxon polar_surface_area 134.38 ChemAxon refractivity 241.48 ChemAxon polarizability 101.11 ChemAxon rotatable_bond_count 45 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Phosphatidylcholine Biosynthesis PC(18:4(6Z,9Z,12Z,15Z)/24:0) SMP0080710 Phosphatidylethanolamine Biosynthesis PE(18:4(6Z,9Z,12Z,15Z)/24:0) SMP0082517 Specdb::MsMs 688789 Specdb::MsMs 688790 Specdb::MsMs 688791 Specdb::MsMs 691252 Specdb::MsMs 691253 Specdb::MsMs 691254 Specdb::MsMs 2304267 Specdb::MsMs 2304268 Specdb::MsMs 2304269 Specdb::MsMs 2462943 Specdb::MsMs 2462944 Specdb::MsMs 2462945 Specdb::MsMs 2658439 Specdb::MsMs 2658440 Specdb::MsMs 2658441 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Brain Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 53479703 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme