1.0 2020-03-26 02:51:33 UTC 2020-04-22 19:32:36 UTC BMDB0101892 TG(24:0/O-18:0/24:1(15Z)) 1-Lignoceroyl-2-stearyl-3-nervonoyl-glycerol 1-Tetracosanoyl-2-octadecanyl-3-(15Z-tetracosanoyl)-glycerol TAG(24:0/18:0/24:1) TAG(66:1) TG(24:0/18:0/24:1) TG(66:1) Tracylglycerol(24:0/18:0/24:1) Tracylglycerol(66:1) Triacylglycerol Triglyceride TG(24:0/o-18:0/24:1(15Z)) (2S)-2-(Octadecyloxy)-3-(tetracosanoyloxy)propyl (15Z)-tetracos-15-enoic acid C69H134O5 1043.826 1043.023127415 (2S)-2-(octadecyloxy)-3-(tetracosanoyloxy)propyl (15Z)-tetracos-15-enoate (2S)-2-(octadecyloxy)-3-(tetracosanoyloxy)propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC InChI=1S/C69H134O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-65-67(72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)66-74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,67H,4-24,26-27,29-66H2,1-3H3/b28-25-/t67-/m1/s1 OJCDFARQYVDWBA-QJGHWQPCSA-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 10.74 ALOGPS logs -7.98 ALOGPS logp 26.95 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2S)-2-(octadecyloxy)-3-(tetracosanoyloxy)propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 1043.826 ChemAxon mono_mass 1043.023127415 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC ChemAxon formula C69H134O5 ChemAxon inchi InChI=1S/C69H134O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-65-67(72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)66-74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,67H,4-24,26-27,29-66H2,1-3H3/b28-25-/t67-/m1/s1 ChemAxon inchikey OJCDFARQYVDWBA-QJGHWQPCSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 325.47 ChemAxon polarizability 146.78 ChemAxon rotatable_bond_count 67 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::CMs 226866 Specdb::MsMs 304147 Specdb::MsMs 304148 Specdb::MsMs 304149 Specdb::MsMs 347269 Specdb::MsMs 347270 Specdb::MsMs 347271 Specdb::MsMs 2382704 Specdb::MsMs 2382705 Specdb::MsMs 2382706 Specdb::MsMs 2580405 Specdb::MsMs 2580406 Specdb::MsMs 2580407 131758551