1.0 2020-03-25 17:56:15 UTC 2020-05-21 16:27:31 UTC BMDB0098032 TG(15:0/18:1(11Z)/18:3(6Z,9Z,12Z)) 1-Pentadecanoyl-2-(11Z-octadecenoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol 1-Pentadecanoyl-2-vaccenoyl-3-g-linolenoyl-glycerol TAG(15:0/18:1/18:3) TAG(51:4) TG(15:0/18:1/18:3) TG(51:4) Tracylglycerol(15:0/18:1/18:3) Tracylglycerol(51:4) Triacylglycerol Triglyceride TG(15:0/18:1(11Z)/18:3(6Z,9Z,12Z)) C54H96O6 841.356 840.720690811 (2S)-2-[(11Z)-octadec-11-enoyloxy]-3-(pentadecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (2S)-2-[(11Z)-octadec-11-enoyloxy]-3-(pentadecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,32,35,51H,4-15,17-18,21-22,24,26,28-31,33-34,36-50H2,1-3H3/b19-16-,23-20-,27-25-,35-32-/t51-/m0/s1 PLQAHAQIGGSBNU-LQPJQHMESA-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 10.74 ALOGPS logs -8.09 ALOGPS logp 18.81 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(11Z)-octadec-11-enoyloxy]-3-(pentadecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate ChemAxon average_mass 841.356 ChemAxon mono_mass 840.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC ChemAxon formula C54H96O6 ChemAxon inchi InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,32,35,51H,4-15,17-18,21-22,24,26,28-31,33-34,36-50H2,1-3H3/b19-16-,23-20-,27-25-,35-32-/t51-/m0/s1 ChemAxon inchikey PLQAHAQIGGSBNU-LQPJQHMESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 259.56 ChemAxon polarizability 109.47 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 617227 Specdb::MsMs 617228 Specdb::MsMs 617229 Specdb::MsMs 943477 Specdb::MsMs 943478 Specdb::MsMs 943479 Specdb::MsMs 2427880 Specdb::MsMs 2427881 Specdb::MsMs 2427882 Specdb::MsMs 2643957 Specdb::MsMs 2643958 Specdb::MsMs 2643959 Specdb::MsMs 2695758 Specdb::MsMs 2695759 Specdb::MsMs 2695760 Specdb::MsMs 2849444 Specdb::MsMs 2849445 Specdb::MsMs 2849446 Specdb::MsMs 2986852 Specdb::MsMs 2986853 Specdb::MsMs 2986854 131754363 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme