1.0 2020-03-26 02:51:29 UTC 2020-04-22 19:32:36 UTC BMDB0101891 TG(24:0/O-18:0/22:1(13Z)) 1-Lignoceroyl-2-stearyl-3-erucoyl-glycerol 1-Tetracosanoyl-2-octadecanyl-3-(13Z-docosenoyl)-glycerol TAG(24:0/18:0/22:1) TAG(64:1) TG(24:0/18:0/22:1) TG(64:1) Tracylglycerol(24:0/18:0/22:1) Tracylglycerol(64:1) Triacylglycerol Triglyceride TG(24:0/o-18:0/22:1(13Z)) (2S)-3-[(13Z)-Docos-13-enoyloxy]-2-(octadecyloxy)propyl tetracosanoic acid C67H130O5 1015.772 1014.991827286 (2S)-3-[(13Z)-docos-13-enoyloxy]-2-(octadecyloxy)propyl tetracosanoate (2S)-3-[(13Z)-docos-13-enoyloxy]-2-(octadecyloxy)propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC InChI=1S/C67H130O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,65H,4-25,27-28,30-64H2,1-3H3/b29-26-/t65-/m1/s1 BJLJAHPADCOIKF-FHQWLIJJSA-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 10.78 ALOGPS logs -7.97 ALOGPS logp 26.06 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2S)-3-[(13Z)-docos-13-enoyloxy]-2-(octadecyloxy)propyl tetracosanoate ChemAxon average_mass 1015.772 ChemAxon mono_mass 1014.991827286 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC ChemAxon formula C67H130O5 ChemAxon inchi InChI=1S/C67H130O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-64-65(70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)63-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,65H,4-25,27-28,30-64H2,1-3H3/b29-26-/t65-/m1/s1 ChemAxon inchikey BJLJAHPADCOIKF-FHQWLIJJSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 316.27 ChemAxon polarizability 142.5 ChemAxon rotatable_bond_count 65 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 288670 Specdb::MsMs 288671 Specdb::MsMs 288672 Specdb::MsMs 327862 Specdb::MsMs 327863 Specdb::MsMs 327864 Specdb::MsMs 3045886 Specdb::MsMs 3045887 Specdb::MsMs 3045888 Specdb::MsMs 3093745 Specdb::MsMs 3093746 Specdb::MsMs 3093747 131758550