1.0 2020-03-10 17:01:23 UTC 2020-04-22 18:56:07 UTC BMDB0096111 BMDB96111 3-Sn-phosphatidylethanolamine 2-Azaniumylethyl [(2R)-3-octadecanoyloxy-2-tetradecanoyloxypropyl] phosphate 3PE (2-Aminoethoxy)[3-(octadecanoyloxy)-2-(tetradecanoyloxy)propoxy]phosphinate C37H74NO8P 691.9591 691.515204861 (2-aminoethoxy)[3-(octadecanoyloxy)-2-(tetradecanoyloxy)propoxy]phosphinic acid 2-aminoethoxy(3-(octadecanoyloxy)-2-(tetradecanoyloxy)propoxy)phosphinic acid [H]N([H])CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42) RFJQNULIDFTTLL-UHFFFAOYSA-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 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 Phosphoethanolamine Phosphoric acid ester Primary aliphatic amine Primary amine Aliphatic acyclic compounds logp 8.10 ALOGPS logs -6.87 ALOGPS logp 10.45 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[3-(octadecanoyloxy)-2-(tetradecanoyloxy)propoxy]phosphinic acid ChemAxon average_mass 691.9591 ChemAxon mono_mass 691.515204861 ChemAxon smiles [H]N([H])CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C37H74NO8P ChemAxon inchi InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42) ChemAxon inchikey RFJQNULIDFTTLL-UHFFFAOYSA-N ChemAxon polar_surface_area 134.38 ChemAxon refractivity 191 ChemAxon polarizability 85.72 ChemAxon rotatable_bond_count 39 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 2801521 Specdb::MsMs 2801522 Specdb::MsMs 2801523 Specdb::MsMs 2877932 Specdb::MsMs 2877933 Specdb::MsMs 2877934 Specdb::MsMs 2929264 Specdb::MsMs 2929265 Specdb::MsMs 2929266 7825683 9546733 FDB111657