1.0 2020-03-25 21:30:53 UTC 2020-04-22 19:17:04 UTC BMDB0099435 TG(18:0/20:3(5Z,8Z,11Z)/18:1(11Z)) 1-Octadecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(11Z-octadecenoyl)-glycerol 1-Stearoyl-2-meadoyl-3-vaccenoyl-glycerol TAG(18:0/20:3/18:1) TAG(56:4) TG(18:0/20:3/18:1) TG(56:4) Tracylglycerol(18:0/20:3/18:1) Tracylglycerol(56:4) Triacylglycerol Triglyceride TG(18:0/20:3(5Z,8Z,11Z)/18:1(11Z)) C59H106O6 911.491 910.798941133 (2S)-1-[(11Z)-octadec-11-enoyloxy]-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2S)-1-[(11Z)-octadec-11-enoyloxy]-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,25,28,32,35,41,44,56H,4-19,21-22,24,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b23-20-,28-25-,35-32-,44-41-/t56-/m1/s1 AFROGRBBTHFYEB-MXTRRYSRSA-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 10.87 ALOGPS logs -8.14 ALOGPS logp 21.03 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(11Z)-octadec-11-enoyloxy]-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 911.491 ChemAxon mono_mass 910.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C59H106O6 ChemAxon inchi InChI=1S/C59H106O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,25,28,32,35,41,44,56H,4-19,21-22,24,26-27,29-31,33-34,36-40,42-43,45-55H2,1-3H3/b23-20-,28-25-,35-32-,44-41-/t56-/m1/s1 ChemAxon inchikey AFROGRBBTHFYEB-MXTRRYSRSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 282.56 ChemAxon polarizability 121.72 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::CMs 241421 Specdb::MsMs 666472 Specdb::MsMs 666473 Specdb::MsMs 666474 Specdb::MsMs 963145 Specdb::MsMs 963146 Specdb::MsMs 963147 Specdb::MsMs 2333339 Specdb::MsMs 2333340 Specdb::MsMs 2333341 Specdb::MsMs 2415166 Specdb::MsMs 2415167 Specdb::MsMs 2415168 Specdb::MsMs 2631821 Specdb::MsMs 2631822 Specdb::MsMs 2631823 Specdb::MsMs 2849995 Specdb::MsMs 2849996 Specdb::MsMs 2849997 Specdb::MsMs 2952018 Specdb::MsMs 2952019 Specdb::MsMs 2952020 131756009