1.0 2020-03-25 20:38:33 UTC 2020-04-22 19:12:55 UTC BMDB0098778 TG(16:0/22:1(13Z)/16:1(9Z)) 1-Hexadecanoyl-2-(13Z-docosenoyl)-3-(9Z-hexadecenoyl)-glycerol 1-Palmitoyl-2-erucoyl-3-palmitoleoyl-glycerol TAG(16:0/22:1/16:1) TAG(54:2) TG(16:0/22:1/16:1) TG(54:2) Tracylglycerol(16:0/22:1/16:1) Tracylglycerol(54:2) Triacylglycerol Triglyceride TG(16:0/22:1(13Z)/16:1(9Z)) C57H106O6 887.469 886.798941133 (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propan-2-yl (13Z)-docos-13-enoate (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propan-2-yl (13Z)-docos-13-enoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h20,23,25-26,54H,4-19,21-22,24,27-53H2,1-3H3/b23-20-,26-25-/t54-/m1/s1 OHIPQOVSAYMWKS-IYBXSEAUSA-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 10.75 ALOGPS logs -8.07 ALOGPS logp 20.87 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propan-2-yl (13Z)-docos-13-enoate ChemAxon average_mass 887.469 ChemAxon mono_mass 886.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C57H106O6 ChemAxon inchi InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h20,23,25-26,54H,4-19,21-22,24,27-53H2,1-3H3/b23-20-,26-25-/t54-/m1/s1 ChemAxon inchikey OHIPQOVSAYMWKS-IYBXSEAUSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 271.13 ChemAxon polarizability 119.13 ChemAxon rotatable_bond_count 54 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 600622 Specdb::MsMs 600623 Specdb::MsMs 600624 Specdb::MsMs 936799 Specdb::MsMs 936800 Specdb::MsMs 936801 Specdb::MsMs 2412754 Specdb::MsMs 2412755 Specdb::MsMs 2412756 Specdb::MsMs 2432212 Specdb::MsMs 2432213 Specdb::MsMs 2432214 Specdb::MsMs 2549880 Specdb::MsMs 2549881 Specdb::MsMs 2549882 Specdb::MsMs 2855245 Specdb::MsMs 2855246 Specdb::MsMs 2855247 Specdb::MsMs 2968263 Specdb::MsMs 2968264 Specdb::MsMs 2968265 131755267