1.0 2020-03-25 17:04:53 UTC 2020-04-22 19:04:16 UTC BMDB0097408 TG(14:0/18:2(9Z,12Z)/18:1(11Z)) 1-Myristoyl-2-linoleoyl-3-vaccenoyl-glycerol 1-Tetradecanoyl-2-(9Z,12Z-octadecadienoyl)-3-(11Z-octadecenoyl)-glycerol TAG(14:0/18:2/18:1) TAG(50:3) TG(14:0/18:2/18:1) TG(50:3) Tracylglycerol(14:0/18:2/18:1) Tracylglycerol(50:3) Triacylglycerol Triglyceride TG(14:0/18:2(9Z,12Z)/18:1(11Z)) C53H96O6 829.345 828.720690811 (2S)-1-[(11Z)-octadec-11-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate (2S)-1-[(11Z)-octadec-11-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C53H96O6/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/h17,19-20,22,25,27,50H,4-16,18,21,23-24,26,28-49H2,1-3H3/b20-17-,22-19-,27-25-/t50-/m0/s1 YFSGNVXPMXNPIJ-JJYIGQMHSA-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 10.72 ALOGPS logs -8.11 ALOGPS logp 18.73 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(11Z)-octadec-11-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate ChemAxon average_mass 829.345 ChemAxon mono_mass 828.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C53H96O6 ChemAxon inchi InChI=1S/C53H96O6/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/h17,19-20,22,25,27,50H,4-16,18,21,23-24,26,28-49H2,1-3H3/b20-17-,22-19-,27-25-/t50-/m0/s1 ChemAxon inchikey YFSGNVXPMXNPIJ-JJYIGQMHSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 253.84 ChemAxon polarizability 108.94 ChemAxon rotatable_bond_count 49 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 579658 Specdb::MsMs 579659 Specdb::MsMs 579660 Specdb::MsMs 928336 Specdb::MsMs 928337 Specdb::MsMs 928338 Specdb::MsMs 2356620 Specdb::MsMs 2356621 Specdb::MsMs 2356622 Specdb::MsMs 2541005 Specdb::MsMs 2541006 Specdb::MsMs 2541007 Specdb::MsMs 2609441 Specdb::MsMs 2609442 Specdb::MsMs 2609443 Specdb::MsMs 2749012 Specdb::MsMs 2749013 Specdb::MsMs 2749014 Specdb::MsMs 2855758 Specdb::MsMs 2855759 Specdb::MsMs 2855760 131753657