1.0 2020-03-26 00:23:59 UTC 2020-04-22 19:23:57 UTC BMDB0100523 TG(20:0/O-18:0/24:1(15Z)) 1-Arachidonyl-2-stearyl-3-nervonoyl-glycerol 1-Eicosanoyl-2-octadecanyl-3-(15Z-tetracosanoyl)-glycerol TAG(20:0/18:0/24:1) TAG(62:1) TG(20:0/18:0/24:1) TG(62:1) Tracylglycerol(20:0/18:0/24:1) Tracylglycerol(62:1) Triacylglycerol Triglyceride TG(20:0/o-18:0/24:1(15Z)) (2S)-3-(Icosanoyloxy)-2-(octadecyloxy)propyl (15Z)-tetracos-15-enoic acid C65H126O5 987.718 986.960527157 (2S)-3-(icosanoyloxy)-2-(octadecyloxy)propyl (15Z)-tetracos-15-enoate (2S)-3-(icosanoyloxy)-2-(octadecyloxy)propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h25,28,63H,4-24,26-27,29-62H2,1-3H3/b28-25-/t63-/m0/s1 FXJZWHJSBZQZLR-VXCZRWRPSA-N belongs to the class of organic compounds known as alkyldiacylglycerols. These are triradylglycerols that carry exactly two acyl chains attached to the glycerol moiety through an ester linkage, and one attached through an ester linkage. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Alkyldiacylglycerols Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dicarboxylic acids and derivatives Fatty acid esters Glycerol ethers Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alkyldiacylglycerol Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds logp 10.80 ALOGPS logs -7.96 ALOGPS logp 25.17 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2S)-3-(icosanoyloxy)-2-(octadecyloxy)propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 987.718 ChemAxon mono_mass 986.960527157 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC ChemAxon formula C65H126O5 ChemAxon inchi InChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-65(67)70-62-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)61-69-64(66)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h25,28,63H,4-24,26-27,29-62H2,1-3H3/b28-25-/t63-/m0/s1 ChemAxon inchikey FXJZWHJSBZQZLR-VXCZRWRPSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 307.07 ChemAxon polarizability 138.12 ChemAxon rotatable_bond_count 63 ChemAxon acceptor_count 3 ChemAxon donor_count 0 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 301381 Specdb::MsMs 301382 Specdb::MsMs 301383 Specdb::MsMs 343888 Specdb::MsMs 343889 Specdb::MsMs 343890 Specdb::MsMs 3048047 Specdb::MsMs 3048048 Specdb::MsMs 3048049 Specdb::MsMs 3095866 Specdb::MsMs 3095867 Specdb::MsMs 3095868 131757189