1.0 2020-03-25 16:17:25 UTC 2020-04-22 19:00:42 UTC BMDB0096843 TG(18:0/18:0/18:2(9Z,12Z)) 1-Stearoyl-2-stearoyl-3-linoleoyl-glycerol TAG(18:0/18:0/18:2) TAG(18:0/18:0/18:2n6) TAG(18:0/18:0/18:2W6) TAG(54:2) TG(18:0/18:0/18:2) TG(18:0/18:0/18:2n6) TG(18:0/18:0/18:2W6) TG(54:2) Tracylglycerol(18:0/18:0/18:2) Tracylglycerol(18:0/18:0/18:2n6) Tracylglycerol(18:0/18:0/18:2W6) Tracylglycerol(54:2) Triacylglycerol Triglyceride 1-Octadecanoyl-2-octadecanoyl-3-(9Z,12Z-octadecadienoyl)-glycerol TG(18:0/18:0/18:2(9Z,12Z)) C57H106O6 887.469 886.798941133 (2S)-2,3-bis(octadecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate (2S)-2,3-bis(octadecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,54H,4-15,17-18,20-24,26-27,29-53H2,1-3H3/b19-16-,28-25-/t54-/m1/s1 ABFJWRKPWCFTQP-KJFPCCCASA-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 Lineolic acids and 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 Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.77 ALOGPS logs -8.05 ALOGPS logp 20.87 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis(octadecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate ChemAxon average_mass 887.469 ChemAxon mono_mass 886.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C57H106O6 ChemAxon inchi InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,54H,4-15,17-18,20-24,26-27,29-53H2,1-3H3/b19-16-,28-25-/t54-/m1/s1 ChemAxon inchikey ABFJWRKPWCFTQP-KJFPCCCASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 271.13 ChemAxon polarizability 119.07 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 595819 Specdb::MsMs 595820 Specdb::MsMs 595821 Specdb::MsMs 934858 Specdb::MsMs 934859 Specdb::MsMs 934860 Specdb::MsMs 2542745 Specdb::MsMs 2542746 Specdb::MsMs 2542747 Specdb::MsMs 2757426 Specdb::MsMs 2757427 Specdb::MsMs 2757428 Specdb::MsMs 3042316 Specdb::MsMs 3042317 Specdb::MsMs 3042318 Specdb::MsMs 3071787 Specdb::MsMs 3071788 Specdb::MsMs 3071789 Specdb::MsMs 3098650 Specdb::MsMs 3098651 Specdb::MsMs 3098652 7823135 25240368 FDB023675 C00422 4917 Triacylglycerols