1.0 2020-03-26 04:50:48 UTC 2020-04-22 19:41:10 UTC BMDB0103244 TG(18:1(11Z)/24:0/22:2(13Z,16Z)) 1-(11Z-Octadecenoyl)-2-tetracosanoyl-3-(13Z,16Z-docosadienoyl)-glycerol 1-Vaccenoyl-2-lignoceroyl-3-docosadienoyl-glycerol TAG(18:1/24:0/22:2) TAG(64:3) TG(18:1/24:0/22:2) TG(64:3) Tracylglycerol(18:1/24:0/22:2) Tracylglycerol(64:3) Triacylglycerol Triglyceride TG(18:1(11Z)/24:0/22:2(13Z,16Z)) C67H124O6 1025.723 1024.939791713 (2R)-1-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl tetracosanoate (2R)-1-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl tetracosanoate [H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,64H,4-16,18-19,22-23,25,27-28,30-63H2,1-3H3/b20-17-,24-21-,29-26-/t64-/m0/s1 VWVPMZNTMGGJGK-HWMGPKFZSA-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 10.78 ALOGPS logs -8.18 ALOGPS logp 24.95 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 1025.723 ChemAxon mono_mass 1024.939791713 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C67H124O6 ChemAxon inchi InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,64H,4-16,18-19,22-23,25,27-28,30-63H2,1-3H3/b20-17-,24-21-,29-26-/t64-/m0/s1 ChemAxon inchikey VWVPMZNTMGGJGK-HWMGPKFZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 318.26 ChemAxon polarizability 138.91 ChemAxon rotatable_bond_count 63 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 683089 Specdb::MsMs 683090 Specdb::MsMs 683091 Specdb::MsMs 969757 Specdb::MsMs 969758 Specdb::MsMs 969759 Specdb::MsMs 2412877 Specdb::MsMs 2412878 Specdb::MsMs 2412879 Specdb::MsMs 2430922 Specdb::MsMs 2430923 Specdb::MsMs 2430924 Specdb::MsMs 2797379 Specdb::MsMs 2797380 Specdb::MsMs 2797381 Specdb::MsMs 2882027 Specdb::MsMs 2882028 Specdb::MsMs 2882029 Specdb::MsMs 2941507 Specdb::MsMs 2941508 Specdb::MsMs 2941509 131760010