1.0 2016-10-03 17:34:14 UTC 2020-05-21 16:26:28 UTC BMDB0009025 BMDB09025 PE(18:1(11Z)/18:1(11Z)) PE(18:1(11Z)/18:1(11Z)), also known as PE(18:1/18:1) or GPEtn(36:2), 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(18:1(11Z)/18:1(11Z)) is possibly soluble (in water) and a very strong basic compound (based on its pKa). PE(18:1(11Z)/18:1(11Z)) exists in all living species, ranging from bacteria to humans. PE(18:1(11Z)/18:1(11Z)) participates in a number of enzymatic reactions, within cattle. In particular, PE(18:1(11Z)/18:1(11Z)) can be biosynthesized from PS(18:1(11Z)/18:1(11Z)) through the action of the enzyme phosphatidylserine decarboxylase. Furthermore, Cytidine monophosphate and PE(18:1(11Z)/18:1(11Z)) can be biosynthesized from CDP-ethanolamine and DG(18:1(11Z)/18:1(11Z)/0:0); which is mediated by the enzyme choline/ethanolaminephosphotransferase. Furthermore, Cytidine monophosphate and PE(18:1(11Z)/18:1(11Z)) can be biosynthesized from CDP-ethanolamine and DG(18:1(11Z)/18:1(11Z)/0:0); which is mediated by the enzyme choline/ethanolaminephosphotransferase. Finally, PE(18:1(11Z)/18:1(11Z)) can be biosynthesized from PS(18:1(11Z)/18:1(11Z)) through its interaction with the enzyme phosphatidylserine decarboxylase. In cattle, PE(18:1(11Z)/18:1(11Z)) is involved in a couple of metabolic pathways, which include phosphatidylethanolamine biosynthesis pe(18:1(11Z)/18:1(11Z)) pathway and phosphatidylcholine biosynthesis PC(18:1(11Z)/18:1(11Z)) pathway. PE(18:1/18:1) GPEtn(18:1/18:1) 1,2-Divaccenoyl-rac-glycero-3-phosphoethanolamine Phophatidylethanolamine(36:2) Phophatidylethanolamine(18:1/18:1) GPEtn(36:2) 1,2-Di(11Z-octadecenoyl)-rac-glycero-3-phosphoethanolamine PE(36:2) PE(18:1(11Z)/18:1(11Z)) C41H78NO8P 744.048 743.546505474 (2-aminoethoxy)[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid 2-aminoethoxy((2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy)phosphinic acid [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39H,3-12,17-38,42H2,1-2H3,(H,45,46)/b15-13-,16-14-/t39-/m1/s1 FXSMMNUNFDTUMS-NCDRPEBGSA-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 8.78 ALOGPS logs -7.08 ALOGPS logp 11.51 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid ChemAxon average_mass 744.048 ChemAxon mono_mass 743.546505474 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC ChemAxon formula C41H78NO8P ChemAxon inchi InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39H,3-12,17-38,42H2,1-2H3,(H,45,46)/b15-13-,16-14-/t39-/m1/s1 ChemAxon inchikey FXSMMNUNFDTUMS-NCDRPEBGSA-N ChemAxon polar_surface_area 134.38 ChemAxon refractivity 211.64 ChemAxon polarizability 90.48 ChemAxon rotatable_bond_count 41 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(18:1(11Z)/18:1(11Z)) SMP0080589 Phosphatidylethanolamine Biosynthesis PE(18:1(11Z)/18:1(11Z)) SMP0082392 Specdb::CMs 230456 Specdb::MsMs 688066 Specdb::MsMs 688067 Specdb::MsMs 688068 Specdb::MsMs 690529 Specdb::MsMs 690530 Specdb::MsMs 690531 Specdb::MsMs 2281741 Specdb::MsMs 2281742 Specdb::MsMs 2281743 Specdb::MsMs 2746088 Specdb::MsMs 2746089 Specdb::MsMs 2746090 Specdb::MsMs 3083950 Specdb::MsMs 3083951 Specdb::MsMs 3083952 Specdb::NmrOneD 327492 Specdb::NmrOneD 327493 Specdb::NmrOneD 327494 Specdb::NmrOneD 327495 Specdb::NmrOneD 327496 Specdb::NmrOneD 327497 Specdb::NmrOneD 327498 Specdb::NmrOneD 327499 Specdb::NmrOneD 327500 Specdb::NmrOneD 327501 Specdb::NmrOneD 327502 Specdb::NmrOneD 327503 Specdb::NmrOneD 327504 Specdb::NmrOneD 327505 Specdb::NmrOneD 327506 Specdb::NmrOneD 327507 Specdb::NmrOneD 327508 Specdb::NmrOneD 327509 Specdb::NmrOneD 327510 Specdb::NmrOneD 327511 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 53479624 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme