1.0 2016-10-03 17:31:40 UTC 2020-05-21 16:26:22 UTC BMDB0008901 BMDB08901 PE(15:0/20:2(11Z,14Z)) PE(15:0/20:2(11Z,14Z)), also known as PE(35:2) or PE(15:0/20:2), 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. Thus, PE(15:0/20:2(11Z,14Z)) is considered to be a glycerophosphoethanolamine lipid molecule. PE(15:0/20:2(11Z,14Z)) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. PE(15:0/20:2(11Z,14Z)) participates in a number of enzymatic reactions, within cattle. In particular, PE(15:0/20:2(11Z,14Z)) can be biosynthesized from PS(15:0/20:2(11Z,14Z)) through its interaction with the enzyme phosphatidylserine decarboxylase. Furthermore, Cytidine monophosphate and PE(15:0/20:2(11Z,14Z)) can be biosynthesized from CDP-ethanolamine and DG(15:0/20:2(11Z,14Z)/0:0); which is mediated by the enzyme choline/ethanolaminephosphotransferase. Furthermore, Cytidine monophosphate and PE(15:0/20:2(11Z,14Z)) can be biosynthesized from CDP-ethanolamine and DG(15:0/20:2(11Z,14Z)/0:0); which is catalyzed by the enzyme choline/ethanolaminephosphotransferase. Finally, PE(15:0/20:2(11Z,14Z)) can be biosynthesized from PS(15:0/20:2(11Z,14Z)); which is mediated by the enzyme phosphatidylserine decarboxylase. In cattle, PE(15:0/20:2(11Z,14Z)) is involved in a couple of metabolic pathways, which include phosphatidylethanolamine biosynthesis pe(15:0/20:2(11Z,14Z)) pathway and phosphatidylcholine biosynthesis PC(15:0/20:2(11Z,14Z)) pathway. 1-Pentadecanoyl-2-eicosadienoyl-sn-glycero-3-phosphoethanolamine PE(35:2) Phophatidylethanolamine(35:2) PE(15:0/20:2) GPEtn(35:2) Phophatidylethanolamine(15:0/20:2) 1-Pentadecanoyl-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phosphoethanolamine GPEtn(15:0/20:2) PE(15:0/20:2(11Z,14Z)) C40H76NO8P 730.0071 729.530854925 (2-aminoethoxy)[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(pentadecanoyloxy)propoxy]phosphinic acid 2-aminoethoxy(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(pentadecanoyloxy)propoxyphosphinic acid [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C40H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,38H,3-10,12,14-16,19-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-/t38-/m1/s1 FXYFFYOQPWNFJZ-XGKJNDTMSA-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 Diacylglycerophosphoethanolamines Solid logp 8.60 ALOGPS logs -7.03 ALOGPS logp 11.06 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(pentadecanoyloxy)propoxy]phosphinic acid ChemAxon average_mass 730.0071 ChemAxon mono_mass 729.530854925 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C40H76NO8P ChemAxon inchi InChI=1S/C40H76NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,38H,3-10,12,14-16,19-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-/t38-/m1/s1 ChemAxon inchikey FXYFFYOQPWNFJZ-XGKJNDTMSA-N ChemAxon polar_surface_area 134.38 ChemAxon refractivity 207.04 ChemAxon polarizability 89.09 ChemAxon rotatable_bond_count 40 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(15:0/20:2(11Z,14Z)) SMP0080499 Phosphatidylethanolamine Biosynthesis PE(15:0/20:2(11Z,14Z)) SMP0082302 Specdb::MsMs 687568 Specdb::MsMs 687569 Specdb::MsMs 687570 Specdb::MsMs 690031 Specdb::MsMs 690032 Specdb::MsMs 690033 Specdb::MsMs 2290134 Specdb::MsMs 2290135 Specdb::MsMs 2290136 Specdb::MsMs 2649429 Specdb::MsMs 2649430 Specdb::MsMs 2649431 Specdb::MsMs 2826894 Specdb::MsMs 2826895 Specdb::MsMs 2826896 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 52924168 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme