1.0 2016-10-03 17:31:09 UTC 2020-05-11 19:33:26 UTC BMDB0008887 BMDB08887 PE(15:0/14:0) GPEtn(29:0) 1-Pentadecanoyl-2-myristoyl-sn-glycero-3-phosphoethanolamine PE(29:0) GPEtn(15:0/14:0) Phophatidylethanolamine(15:0/14:0) 1-Pentadecanoyl-2-tetradecanoyl-sn-glycero-3-phosphoethanolamine Phophatidylethanolamine(29:0) PE(15:0/14:0) C34H68NO8P 649.891 649.468255152 (2-aminoethoxy)[(2R)-3-(pentadecanoyloxy)-2-(tetradecanoyloxy)propoxy]phosphinic acid 2-aminoethoxy((2R)-3-(pentadecanoyloxy)-2-(tetradecanoyloxy)propoxy)phosphinic acid [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC InChI=1S/C34H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35)43-34(37)27-25-23-21-19-16-14-12-10-8-6-4-2/h32H,3-31,35H2,1-2H3,(H,38,39)/t32-/m1/s1 VNPKEVZXIMYUIM-JGCGQSQUSA-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 Diacylglycerophosphoethanolamines Solid logp 7.30 ALOGPS logs -6.60 ALOGPS logp 9.12 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[(2R)-3-(pentadecanoyloxy)-2-(tetradecanoyloxy)propoxy]phosphinic acid ChemAxon average_mass 649.891 ChemAxon mono_mass 649.468255152 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC ChemAxon formula C34H68NO8P ChemAxon inchi InChI=1S/C34H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35)43-34(37)27-25-23-21-19-16-14-12-10-8-6-4-2/h32H,3-31,35H2,1-2H3,(H,38,39)/t32-/m1/s1 ChemAxon inchikey VNPKEVZXIMYUIM-JGCGQSQUSA-N ChemAxon polar_surface_area 134.38 ChemAxon refractivity 177.2 ChemAxon polarizability 79.14 ChemAxon rotatable_bond_count 36 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 687532 Specdb::MsMs 687533 Specdb::MsMs 687534 Specdb::MsMs 689995 Specdb::MsMs 689996 Specdb::MsMs 689997 Specdb::MsMs 2400813 Specdb::MsMs 2400814 Specdb::MsMs 2400815 Specdb::MsMs 2538008 Specdb::MsMs 2538009 Specdb::MsMs 2538010 Specdb::MsMs 3097933 Specdb::MsMs 3097934 Specdb::MsMs 3097935 Specdb::CMs 1086310 Specdb::NmrOneD 318971 Specdb::NmrOneD 318972 Specdb::NmrOneD 318973 Specdb::NmrOneD 318974 Specdb::NmrOneD 318975 Specdb::NmrOneD 318976 Specdb::NmrOneD 318977 Specdb::NmrOneD 318978 Specdb::NmrOneD 318979 Specdb::NmrOneD 318980 Specdb::NmrOneD 318981 Specdb::NmrOneD 318982 Specdb::NmrOneD 318983 Specdb::NmrOneD 318984 Specdb::NmrOneD 318985 Specdb::NmrOneD 318986 Specdb::NmrOneD 318987 Specdb::NmrOneD 318988 Specdb::NmrOneD 318989 Specdb::NmrOneD 318990 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 FDB026077 4369584