1.0 2020-03-25 16:52:39 UTC 2020-04-22 19:03:21 UTC BMDB0097264 TG(14:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) 1-Myristoyl-2-vaccenoyl-3-stearidonoyl-glycerol 1-Tetradecanoyl-2-(11Z-octadecenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol TAG(14:0/18:1/18:4) TAG(50:5) TG(14:0/18:1/18:4) TG(50:5) Tracylglycerol(14:0/18:1/18:4) Tracylglycerol(50:5) Triacylglycerol Triglyceride TG(14:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C53H92O6 825.313 824.689390682 (2S)-2-[(11Z)-octadec-11-enoyloxy]-3-(tetradecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (2S)-2-[(11Z)-octadec-11-enoyloxy]-3-(tetradecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,31,34,50H,4-6,8-9,11-15,17-18,21-22,25,27-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,34-31-/t50-/m0/s1 IMZUTHVRUURCNU-BOEZADOZSA-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 10.61 ALOGPS logs -7.99 ALOGPS logp 18 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(11Z)-octadec-11-enoyloxy]-3-(tetradecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 825.313 ChemAxon mono_mass 824.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC ChemAxon formula C53H92O6 ChemAxon inchi InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,31,34,50H,4-6,8-9,11-15,17-18,21-22,25,27-30,32-33,35-49H2,1-3H3/b10-7-,19-16-,23-20-,26-24-,34-31-/t50-/m0/s1 ChemAxon inchikey IMZUTHVRUURCNU-BOEZADOZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 256.08 ChemAxon polarizability 106.46 ChemAxon rotatable_bond_count 47 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 245697 Specdb::MsMs 616093 Specdb::MsMs 616094 Specdb::MsMs 616095 Specdb::MsMs 942985 Specdb::MsMs 942986 Specdb::MsMs 942987 Specdb::MsMs 2448338 Specdb::MsMs 2448339 Specdb::MsMs 2448340 Specdb::MsMs 2480206 Specdb::MsMs 2480207 Specdb::MsMs 2480208 Specdb::MsMs 2666632 Specdb::MsMs 2666633 Specdb::MsMs 2666634 Specdb::MsMs 2794181 Specdb::MsMs 2794182 Specdb::MsMs 2794183 Specdb::MsMs 3011349 Specdb::MsMs 3011350 Specdb::MsMs 3011351 131753497