1.0 2016-10-03 17:32:53 UTC 2020-05-21 16:26:25 UTC BMDB0008959 BMDB08959 PE(16:1(9Z)/18:1(11Z)) PE(16:1(9Z)/18:1(11Z)), also known as PE(16:1/18:1) or PE(34:2), 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. PE(16:1(9Z)/18:1(11Z)) is possibly soluble (in water) and a very strong basic compound (based on its pKa). PE(16:1(9Z)/18:1(11Z)) exists in all living species, ranging from bacteria to humans. PE(16:1(9Z)/18:1(11Z)) participates in a number of enzymatic reactions, within cattle. In particular, PE(16:1(9Z)/18:1(11Z)) can be biosynthesized from PS(16:1(9Z)/18:1(11Z)); which is mediated by the enzyme phosphatidylserine decarboxylase. In addition, Cytidine monophosphate and PE(16:1(9Z)/18:1(11Z)) can be biosynthesized from CDP-ethanolamine and DG(16:1(9Z)/18:1(11Z)/0:0) through the action of the enzyme choline/ethanolaminephosphotransferase. In cattle, PE(16:1(9Z)/18:1(11Z)) is involved in the metabolic pathway called phosphatidylethanolamine biosynthesis pe(16:1(9Z)/18:1(11Z)) pathway. PE(16:1/18:1) Phophatidylethanolamine(16:1/18:1) PE(34:2) Phophatidylethanolamine(34:2) 1-Palmitoleoyl-2-vaccenoyl-sn-glycero-3-phosphoethanolamine GPEtn(16:1/18:1) 1-(9Z-Hexadecenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine GPEtn(34:2) PE(16:1(9Z)/18:1(11Z)) C39H74NO8P 715.994 715.515205345 (2-aminoethoxy)[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid 2-aminoethoxy((2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy)phosphinic acid [H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13-16,37H,3-12,17-36,40H2,1-2H3,(H,43,44)/b15-13-,16-14-/t37-/m1/s1 QVUWNEQTPVMHQT-RLSIPVDZSA-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 8.34 ALOGPS logs -6.96 ALOGPS logp 10.62 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid ChemAxon average_mass 715.994 ChemAxon mono_mass 715.515205345 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC ChemAxon formula C39H74NO8P ChemAxon inchi InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13-16,37H,3-12,17-36,40H2,1-2H3,(H,43,44)/b15-13-,16-14-/t37-/m1/s1 ChemAxon inchikey QVUWNEQTPVMHQT-RLSIPVDZSA-N ChemAxon polar_surface_area 134.38 ChemAxon refractivity 202.44 ChemAxon polarizability 86.39 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(16:1(9Z)/18:1(11Z)) SMP0080542 Phosphatidylethanolamine Biosynthesis PE(16:1(9Z)/18:1(11Z)) SMP0082345 Specdb::CMs 1087667 Specdb::MsMs 688075 Specdb::MsMs 688076 Specdb::MsMs 688077 Specdb::MsMs 690538 Specdb::MsMs 690539 Specdb::MsMs 690540 Specdb::MsMs 2355996 Specdb::MsMs 2355997 Specdb::MsMs 2355998 Specdb::MsMs 2607117 Specdb::MsMs 2607118 Specdb::MsMs 2607119 Specdb::MsMs 3024018 Specdb::MsMs 3024019 Specdb::MsMs 3024020 Specdb::NmrOneD 333118 Specdb::NmrOneD 333119 Specdb::NmrOneD 333120 Specdb::NmrOneD 333121 Specdb::NmrOneD 333122 Specdb::NmrOneD 333123 Specdb::NmrOneD 333124 Specdb::NmrOneD 333125 Specdb::NmrOneD 333126 Specdb::NmrOneD 333127 Specdb::NmrOneD 333128 Specdb::NmrOneD 333129 Specdb::NmrOneD 333130 Specdb::NmrOneD 333131 Specdb::NmrOneD 333132 Specdb::NmrOneD 333133 Specdb::NmrOneD 333134 Specdb::NmrOneD 333135 Specdb::NmrOneD 333136 Specdb::NmrOneD 333137 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 53479596 FDB026149 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme