1.0 2020-03-25 16:51:12 UTC 2020-05-20 22:30:39 UTC BMDB0097246 TG(14:0/18:1(11Z)/22:0) 1-Myristoyl-2-vaccenoyl-3-behenoyl-glycerol 1-Tetradecanoyl-2-(11Z-octadecenoyl)-3-docosanoyl-glycerol TAG(14:0/18:1/22:0) TAG(54:1) TG(14:0/18:1/22:0) TG(54:1) Tracylglycerol(14:0/18:1/22:0) Tracylglycerol(54:1) Triacylglycerol Triglyceride TG(14:0/18:1(11Z)/22:0) C57H108O6 889.485 888.814591198 (2S)-2-[(11Z)-octadec-11-enoyloxy]-3-(tetradecanoyloxy)propyl docosanoate (2S)-2-[(11Z)-octadec-11-enoyloxy]-3-(tetradecanoyloxy)propyl docosanoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-/t54-/m0/s1 JNAGPKIFCRPVFY-AEGUMOJNSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.74 ALOGPS logs -7.91 ALOGPS logp 21.23 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(11Z)-octadec-11-enoyloxy]-3-(tetradecanoyloxy)propyl docosanoate ChemAxon average_mass 889.485 ChemAxon mono_mass 888.814591198 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC ChemAxon formula C57H108O6 ChemAxon inchi InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h20,23,54H,4-19,21-22,24-53H2,1-3H3/b23-20-/t54-/m0/s1 ChemAxon inchikey JNAGPKIFCRPVFY-AEGUMOJNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 270.01 ChemAxon polarizability 120.48 ChemAxon rotatable_bond_count 55 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 679501 Specdb::MsMs 679502 Specdb::MsMs 679503 Specdb::MsMs 968404 Specdb::MsMs 968405 Specdb::MsMs 968406 Specdb::MsMs 2332787 Specdb::MsMs 2332788 Specdb::MsMs 2332789 Specdb::MsMs 2409226 Specdb::MsMs 2409227 Specdb::MsMs 2409228 Specdb::MsMs 2411353 Specdb::MsMs 2411354 Specdb::MsMs 2411355 Specdb::MsMs 2553220 Specdb::MsMs 2553221 Specdb::MsMs 2553222 Specdb::MsMs 2970597 Specdb::MsMs 2970598 Specdb::MsMs 2970599 131753478