1.0 2016-10-03 18:09:21 UTC 2020-05-21 16:26:30 UTC BMDB0010565 BMDB10565 PE-NMe(18:1(9Z)/18:1(9Z)) 1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phospho-N-methylethanolamine 1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phospho-N-methylethanolamine zwitterion 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine-N-methyl 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine-N-monomethyl MMPE(18:1(9Z)/18:1(9Z)) 1,2-DOPE-me N-Methyl-1,2-dioleoylphosphatidylethanolamine N-Methyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine C42H80NO8P 758.0603 757.562155053 [(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid (2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid [H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCNC)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C42H80NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,40,43H,4-17,22-39H2,1-3H3,(H,46,47)/b20-18-,21-19-/t40-/m1/s1 LPXFOQGBESUDAX-NLEYBKGJSA-N belongs to the class of organic compounds known as monomethylphosphatidylethanolamines. These are lipids with a structure containing a glycerol moiety linked at its terminal C3 atom to a N-methylphosphoethanolamine group, and at its C1 and C2 terminal atoms by an acyl group. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Monomethylphosphatidylethanolamines Amino acids and derivatives Carbonyl compounds Carboxylic acid esters Dialkyl phosphates Dialkylamines Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Organopnictogen compounds Phosphoethanolamines Aliphatic acyclic compound Alkyl phosphate Amine Amino acid or derivatives Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl phosphate Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Monomethylphosphatidylethanolamine Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organonitrogen compound Organooxygen compound Organopnictogen compound Phosphoethanolamine Phosphoric acid ester Secondary aliphatic amine Secondary amine Aliphatic acyclic compounds 1,2-diacyl-sn-glycero-3-phospho-N-methylethanolamine Diacylglycerophosphoethanolamines Solid logp 8.95 ALOGPS logs -7.27 ALOGPS logp 11.73 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic 10.05 ChemAxon iupac [(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid ChemAxon average_mass 758.0603 ChemAxon mono_mass 757.562155053 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCNC)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C42H80NO8P ChemAxon inchi InChI=1S/C42H80NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,40,43H,4-17,22-39H2,1-3H3,(H,46,47)/b20-18-,21-19-/t40-/m1/s1 ChemAxon inchikey LPXFOQGBESUDAX-NLEYBKGJSA-N ChemAxon polar_surface_area 120.39 ChemAxon refractivity 216.42 ChemAxon polarizability 92.11 ChemAxon rotatable_bond_count 42 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 Specdb::MsMs 2355168 Specdb::MsMs 2355169 Specdb::MsMs 2355170 Specdb::MsMs 2606620 Specdb::MsMs 2606621 Specdb::MsMs 2606622 FDB027715 7825982 9547032 85679 BMDBP00420 Phosphatidylethanolamine N-methyltransferase Q7YRH6 PEMT Enzyme