1.0 2016-10-03 17:29:52 UTC 2020-05-21 16:28:11 UTC BMDB0008826 BMDB08826 PE(14:0/18:0) PE(14:0/18:0), also known as PE(32:0), 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(14:0/18:0) is considered to be a glycerophosphoethanolamine lipid molecule. PE(14:0/18:0) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. PE(14:0/18:0) exists in all living species, ranging from bacteria to humans. PE(14:0/18:0) participates in a number of enzymatic reactions, within cattle. In particular, Cytidine monophosphate and PE(14:0/18:0) can be biosynthesized from CDP-ethanolamine and DG(14:0/18:0/0:0) through its interaction with the enzyme choline/ethanolaminephosphotransferase. Furthermore, PE(14:0/18:0) can be biosynthesized from PS(14:0/18:0) through the action of the enzyme phosphatidylserine decarboxylase. Furthermore, PE(14:0/18:0) can be biosynthesized from PS(14:0/18:0); which is catalyzed by the enzyme phosphatidylserine decarboxylase. Finally, Cytidine monophosphate and PE(14:0/18:0) can be biosynthesized from CDP-ethanolamine and DG(14:0/18:0/0:0); which is mediated by the enzyme choline/ethanolaminephosphotransferase. In cattle, PE(14:0/18:0) is involved in a couple of metabolic pathways, which include phosphatidylcholine biosynthesis PC(14:0/18:0) pathway and phosphatidylethanolamine biosynthesis pe(14:0/18:0) pathway. Phophatidylethanolamine(14:0/18:0) PE(32:0) 1-Myristoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine GPEtn(32:0) GPEtn(14:0/18:0) Phophatidylethanolamine(32:0) 1-Tetradecanoyl-2-octadecanoyl-sn-glycero-3-phosphoethanolamine PE(14:0/18:0) C37H74NO8P 691.972 691.515205345 (2-aminoethoxy)[(2R)-2-(octadecanoyloxy)-3-(tetradecanoyloxy)propoxy]phosphinic acid 2-aminoethoxy((2R)-2-(octadecanoyloxy)-3-(tetradecanoyloxy)propoxy)phosphinic acid [H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1 AUSLLMXXJBCZGL-PGUFJCEWSA-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 8.09 ALOGPS logs -6.87 ALOGPS logp 10.45 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[(2R)-2-(octadecanoyloxy)-3-(tetradecanoyloxy)propoxy]phosphinic acid ChemAxon average_mass 691.972 ChemAxon mono_mass 691.515205345 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C37H74NO8P ChemAxon inchi InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1 ChemAxon inchikey AUSLLMXXJBCZGL-PGUFJCEWSA-N ChemAxon polar_surface_area 134.38 ChemAxon refractivity 191 ChemAxon polarizability 85.09 ChemAxon rotatable_bond_count 39 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(14:0/18:0) SMP0080435 Phosphatidylethanolamine Biosynthesis PE(14:0/18:0) SMP0082238 Specdb::CMs 230819 Specdb::MsMs 688936 Specdb::MsMs 688937 Specdb::MsMs 688938 Specdb::MsMs 691399 Specdb::MsMs 691400 Specdb::MsMs 691401 Specdb::MsMs 2478865 Specdb::MsMs 2478866 Specdb::MsMs 2478867 Specdb::MsMs 2714962 Specdb::MsMs 2714963 Specdb::MsMs 2714964 Specdb::MsMs 2967720 Specdb::MsMs 2967721 Specdb::MsMs 2967722 Specdb::NmrOneD 332082 Specdb::NmrOneD 332083 Specdb::NmrOneD 332084 Specdb::NmrOneD 332085 Specdb::NmrOneD 332086 Specdb::NmrOneD 332087 Specdb::NmrOneD 332088 Specdb::NmrOneD 332089 Specdb::NmrOneD 332090 Specdb::NmrOneD 332091 Specdb::NmrOneD 332092 Specdb::NmrOneD 332093 Specdb::NmrOneD 332094 Specdb::NmrOneD 332095 Specdb::NmrOneD 332096 Specdb::NmrOneD 332097 Specdb::NmrOneD 332098 Specdb::NmrOneD 332099 Specdb::NmrOneD 332100 Specdb::NmrOneD 332101 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 49786976 FDB026016 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02840 Phosphatidylserine decarboxylase proenzyme, mitochondrial Q58DH2 PISD Enzyme