1.0 2020-03-25 17:37:32 UTC 2020-04-22 19:06:44 UTC BMDB0097800 TG(14:0/O-18:0/18:1(11Z)) 1-Myristoyl-2-stearyl-3-vaccenoyl-glycerol 1-Tetradecanoyl-2-octadecanyl-3-(11Z-octadecenoyl)-glycerol TAG(14:0/18:0/18:1) TAG(50:1) TG(14:0/18:0/18:1) TG(50:1) Tracylglycerol(14:0/18:0/18:1) Tracylglycerol(50:1) Triacylglycerol Triglyceride TG(14:0/o-18:0/18:1(11Z)) (2S)-2-(Octadecyloxy)-3-(tetradecanoyloxy)propyl (11Z)-octadec-11-enoic acid C53H102O5 819.394 818.772726384 (2S)-2-(octadecyloxy)-3-(tetradecanoyloxy)propyl (11Z)-octadec-11-enoate (2S)-2-(octadecyloxy)-3-(tetradecanoyloxy)propyl (11Z)-octadec-11-enoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-/t51-/m0/s1 PJYGHEPOTYTZAG-KMIVGPLPSA-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 10.88 ALOGPS logs -7.87 ALOGPS logp 19.83 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2S)-2-(octadecyloxy)-3-(tetradecanoyloxy)propyl (11Z)-octadec-11-enoate ChemAxon average_mass 819.394 ChemAxon mono_mass 818.772726384 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC ChemAxon formula C53H102O5 ChemAxon inchi InChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-/t51-/m0/s1 ChemAxon inchikey PJYGHEPOTYTZAG-KMIVGPLPSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 251.85 ChemAxon polarizability 112.51 ChemAxon rotatable_bond_count 51 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 287002 Specdb::MsMs 287003 Specdb::MsMs 287004 Specdb::MsMs 325744 Specdb::MsMs 325745 Specdb::MsMs 325746 Specdb::MsMs 2275428 Specdb::MsMs 2275429 Specdb::MsMs 2275430 Specdb::MsMs 3093142 Specdb::MsMs 3093143 Specdb::MsMs 3093144 131754076