1.0 2016-10-03 17:34:01 UTC 2020-05-21 16:26:28 UTC BMDB0009014 BMDB09014 PE(18:0/24:1(15Z)) PE(18:0/24:1(15Z)), also known as PE(42:1) or GPEtn(18:0/24:1), 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(18:0/24:1(15Z)) is considered to be a glycerophosphoethanolamine lipid molecule. PE(18:0/24:1(15Z)) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. PE(18:0/24:1(15Z)) participates in a number of enzymatic reactions, within cattle. In particular, PE(18:0/24:1(15Z)) can be biosynthesized from PS(18:0/24:1(15Z)); which is catalyzed by the enzyme phosphatidylserine decarboxylase. Furthermore, Cytidine monophosphate and PE(18:0/24:1(15Z)) can be biosynthesized from CDP-ethanolamine and DG(18:0/24:1(15Z)/0:0); which is catalyzed by the enzyme choline/ethanolaminephosphotransferase. Furthermore, Cytidine monophosphate and PE(18:0/24:1(15Z)) can be biosynthesized from CDP-ethanolamine and DG(18:0/24:1(15Z)/0:0) through its interaction with the enzyme choline/ethanolaminephosphotransferase. Finally, PE(18:0/24:1(15Z)) can be biosynthesized from PS(18:0/24:1(15Z)); which is catalyzed by the enzyme phosphatidylserine decarboxylase. In cattle, PE(18:0/24:1(15Z)) is involved in a couple of metabolic pathways, which include phosphatidylethanolamine biosynthesis pe(18:0/24:1(15Z)) pathway and phosphatidylcholine biosynthesis PC(18:0/24:1(15Z)) pathway. 1-Stearoyl-2-nervonoyl-sn-glycero-3-phosphoethanolamine PE(42:1) Phophatidylethanolamine(18:0/24:1) GPEtn(42:1) GPEtn(18:0/24:1) Phophatidylethanolamine(42:1) 1-Octadecanoyl-2-(15Z-tetracosanoyl)-sn-glycero-3-phosphoethanolamine PE(18:0/24:1) PE(18:0/24:1(15Z)) C47H92NO8P 830.209 829.656055437 (2-aminoethoxy)[(2R)-3-(octadecanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy]phosphinic acid 2-aminoethoxy(2R)-3-(octadecanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxyphosphinic acid [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C47H92NO8P/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/h17,19,45H,3-16,18,20-44,48H2,1-2H3,(H,51,52)/b19-17-/t45-/m1/s1 UQKVVLICVTWZST-XMGJQEBSSA-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 9.63 ALOGPS logs -7.34 ALOGPS logp 14.53 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[(2R)-3-(octadecanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy]phosphinic acid ChemAxon average_mass 830.209 ChemAxon mono_mass 829.656055437 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C47H92NO8P ChemAxon inchi InChI=1S/C47H92NO8P/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/h17,19,45H,3-16,18,20-44,48H2,1-2H3,(H,51,52)/b19-17-/t45-/m1/s1 ChemAxon inchikey UQKVVLICVTWZST-XMGJQEBSSA-N ChemAxon polar_surface_area 134.38 ChemAxon refractivity 238.13 ChemAxon polarizability 104.66 ChemAxon rotatable_bond_count 48 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(18:0/24:1(15Z)) SMP0080588 Phosphatidylethanolamine Biosynthesis PE(18:0/24:1(15Z)) SMP0082391 Specdb::CMs 205497 Specdb::MsMs 686761 Specdb::MsMs 686762 Specdb::MsMs 686763 Specdb::MsMs 689224 Specdb::MsMs 689225 Specdb::MsMs 689226 Specdb::MsMs 2756383 Specdb::MsMs 2756384 Specdb::MsMs 2756385 Specdb::MsMs 2922211 Specdb::MsMs 2922212 Specdb::MsMs 2922213 Specdb::MsMs 2953365 Specdb::MsMs 2953366 Specdb::MsMs 2953367 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 9546992 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme