1.0 2016-10-03 18:13:49 UTC 2020-04-22 15:43:00 UTC BMDB0011158 BMDB11158 PE(P-16:0e/16:0) 1-(Hexadec-1-enyl)-2-palmitoyl-sn-glycero-3-phosphoethanolamine zwitterion 1-[(1Z)-Hexadec-1-enyl]-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion 1-[(1Z)-Hexadec-1-enyl]-2-palmitoyl-sn-glycero-3-phosphoethanolamine zwitterion 2-Hexadecanoyl-1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine 1-(1Z-Hexadecenyl)-2-palmitoyl-sn-glycero-3-phosphoethanolamine 1-(1Z-Hexadecenyl)-2-palmitoyl-sn-glycero-phosphatidylethanolamine GPE(16:1/16:0) GPE(32:1) GPE(O-16:1(1Z)/16:0) GPE(p-16:0/16:0) GPEtn(16:1/16:0) GPEtn(32:1) GPEtn(O-16:1(1Z)/16:0) GPEtn(p-16:0/16:0) PE(16:1/16:0) PE(32:1) PE(O-16:1(1Z)/16:0) Phosphatidylethanolamine(16:1/16:0) Phosphatidylethanolamine(32:1) Phosphatidylethanolamine(O-16:1(1Z)/16:0) Phosphatidylethanolamine(p-16:0/16:0) PE(P-16:0/16:0) C37H74NO7P 675.9597 675.520290239 (2-aminoethoxy)[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-(hexadecanoyloxy)propoxy]phosphinic acid 2-aminoethoxy((2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-(hexadecanoyloxy)propoxy)phosphinic acid [H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32,36H,3-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b32-29-/t36-/m1/s1 FDULCEKAOVWBTQ-PXOIRPRXSA-N belongs to the class of organic compounds known as 1-(1z-alkenyl),2-acylglycerophosphoethanolamines. These are glycerophosphoethanolamines that carry exactly one acyl chain attached to the glycerol moiety through an ester linkage at the O2-position, and one 1Z-alkenyl chain attached through an ether linkage at the O1-position. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1-(1Z-alkenyl),2-acylglycerophosphoethanolamines Amino acids and derivatives Carbonyl compounds Carboxylic acid esters Dialkyl phosphates Fatty acid esters Glycerol vinyl ethers Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Phosphoethanolamines 1-(1z-alkenyl),2-acylglycerophosphoethanolamine Aliphatic acyclic compound Alkyl phosphate Amine Amino acid or derivatives Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl phosphate Fatty acid ester Fatty acyl Glycerol vinyl ether Hydrocarbon derivative Monocarboxylic acid or derivatives 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 1-(1Z-alkenyl),2-acylglycerophosphoethanolamines 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine Solid logp 8.75 ALOGPS logs -6.86 ALOGPS logp 10.84 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-(hexadecanoyloxy)propoxy]phosphinic acid ChemAxon average_mass 675.9597 ChemAxon mono_mass 675.520290239 ChemAxon smiles [H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C37H74NO7P ChemAxon inchi InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38)45-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32,36H,3-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b32-29-/t36-/m1/s1 ChemAxon inchikey FDULCEKAOVWBTQ-PXOIRPRXSA-N ChemAxon polar_surface_area 117.31 ChemAxon refractivity 191.34 ChemAxon polarizability 84.17 ChemAxon rotatable_bond_count 38 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 2409295 Specdb::MsMs 2409296 Specdb::MsMs 2409297 Specdb::MsMs 2553058 Specdb::MsMs 2553059 Specdb::MsMs 2553060 24769221 52925046 FDB112299 72743 C04756