1.0 2020-03-26 12:36:54 UTC 2020-04-22 20:18:24 UTC BMDB0109106 TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z)) Triacylglycerol Tracylglycerol(18:4/24:1/18:4) Triglyceride Tracylglycerol(60:9) TG(60:9) 1-Stearidonoyl-2-nervonoyl-3-stearidonoyl-glycerol TAG(18:4/24:1/18:4) TAG(60:9) 1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-2-(15Z-tetracosanoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol TG(18:4/24:1/18:4) TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z)) C63H104O6 957.4963 956.78329106 1,3-bis[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (15Z)-tetracos-15-enoate 1,3-bis[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (15Z)-tetracos-15-enoate [H]C(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,34-35,40-41,43-44,60H,4-7,10,13-16,19,22-24,29-33,36-39,42,45-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-,44-41- NSAPJHVXFFFJJZ-IEECSKRWSA-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 10.59 ALOGPS logs -8.33 ALOGPS logp 21 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 957.4963 ChemAxon mono_mass 956.78329106 ChemAxon smiles [H]C(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C63H104O6 ChemAxon inchi InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,34-35,40-41,43-44,60H,4-7,10,13-16,19,22-24,29-33,36-39,42,45-59H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,34-26-,35-27-,43-40-,44-41- ChemAxon inchikey NSAPJHVXFFFJJZ-IEECSKRWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 306.55 ChemAxon polarizability 121.94 ChemAxon rotatable_bond_count 53 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 225393 Specdb::MsMs 623017 Specdb::MsMs 623018 Specdb::MsMs 623019 Specdb::MsMs 2558958 Specdb::MsMs 2558959 Specdb::MsMs 2558960 Specdb::MsMs 2656390 Specdb::MsMs 2656391 Specdb::MsMs 2656392 Specdb::MsMs 2745908 Specdb::MsMs 2745909 Specdb::MsMs 2745910 Specdb::MsMs 2772110 Specdb::MsMs 2772111 Specdb::MsMs 2772112 Specdb::MsMs 2936878 Specdb::MsMs 2936879 Specdb::MsMs 2936880 131765962