1.0 2016-10-03 17:50:03 UTC 2020-05-11 19:45:46 UTC BMDB0009777 BMDB09777 PE(24:1(15Z)/P-18:1(9Z)) 1-Nervonoyl-2-(1-enyl-oleoyl)-sn-glycero-3-phosphoethanolamine GPEtn(24:1/18:1) GPEtn(24:1n9/18:1n9) GPEtn(24:1W9/18:1W9) GPEtn(42:2) PE(24:1/18:1) PE(24:1N9/18:1N9) PE(24:1W9/18:1W9) PE(42:2) Phophatidylethanolamine(24:1/18:1) Phophatidylethanolamine(24:1n9/18:1n9) Phophatidylethanolamine(24:1W9/18:1W9) Phophatidylethanolamine(42:2) (2-Aminoethoxy)[(2R)-2-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]-3-[(15Z)-tetracos-15-enoyloxy]propoxy]phosphinate C47H90NO7P 812.1938 811.645490751 (2-aminoethoxy)[(2R)-2-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]-3-[(15Z)-tetracos-15-enoyloxy]propoxy]phosphinic acid 2-aminoethoxy(2R)-2-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]-3-[(15Z)-tetracos-15-enoyloxy]propoxyphosphinic acid [H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC InChI=1S/C47H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h17-20,39,42,46H,3-16,21-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b19-17-,20-18-,42-39-/t46-/m1/s1 FAEYIXWOZKBCOW-BRXUZWRZSA-N belongs to the class of organic compounds known as glycerophosphoethanolamines. These are glycerolipids characterized by an ethanolamine ester of glycerophosphoric acid. As is the case with diacylglycerols, glycerophosphoethanolamines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 atoms. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Glycerophosphoethanolamines 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 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 Sn-glycero-3-phosphoethanolamine Aliphatic acyclic compounds Solid logp 9.96 ALOGPS logs -7.25 ALOGPS logp 14.57 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[(2R)-2-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]-3-[(15Z)-tetracos-15-enoyloxy]propoxy]phosphinic acid ChemAxon average_mass 812.1938 ChemAxon mono_mass 811.645490751 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC ChemAxon formula C47H90NO7P ChemAxon inchi InChI=1S/C47H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h17-20,39,42,46H,3-16,21-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b19-17-,20-18-,42-39-/t46-/m1/s1 ChemAxon inchikey FAEYIXWOZKBCOW-BRXUZWRZSA-N ChemAxon polar_surface_area 117.31 ChemAxon refractivity 239.59 ChemAxon polarizability 102.86 ChemAxon rotatable_bond_count 46 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::CMs 205587 Specdb::NmrOneD 282379 Specdb::NmrOneD 282380 Specdb::NmrOneD 282381 Specdb::NmrOneD 282382 Specdb::NmrOneD 282383 Specdb::NmrOneD 282384 Specdb::NmrOneD 282385 Specdb::NmrOneD 282386 Specdb::NmrOneD 282387 Specdb::NmrOneD 282388 Specdb::NmrOneD 282389 Specdb::NmrOneD 282390 Specdb::NmrOneD 282391 Specdb::NmrOneD 282392 Specdb::NmrOneD 282393 Specdb::NmrOneD 282394 Specdb::NmrOneD 282395 Specdb::NmrOneD 282396 Specdb::NmrOneD 282397 Specdb::NmrOneD 282398 Specdb::MsMs 299440 Specdb::MsMs 299441 Specdb::MsMs 299442 Specdb::MsMs 341449 Specdb::MsMs 341450 Specdb::MsMs 341451 Specdb::MsMs 2262958 Specdb::MsMs 2262959 Specdb::MsMs 2262960 Specdb::MsMs 3078657 Specdb::MsMs 3078658 Specdb::MsMs 3078659 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 24769217 FDB026967 C00350 53480049 L-1-PHOSPHATIDYL-ETHANOLAMINE