1.0 2020-03-25 17:26:08 UTC 2020-05-21 16:27:22 UTC BMDB0097660 TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) 1-Myristoyl-2-stearidonoyl-3-arachidonoyl-glycerol 1-Tetradecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol TAG(14:0/18:4/20:4) TAG(52:8) TG(14:0/18:4/20:4) TG(52:8) Tracylglycerol(14:0/18:4/20:4) Tracylglycerol(52:8) Triacylglycerol Triglyceride TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) C55H90O6 847.319 846.673740618 (2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,34,36-37,39,52H,4-7,9-10,12-15,18,21-23,27,31-33,35,38,40-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-/t52-/m0/s1 HPGZJQBTXAYDIF-YJUVKPSFSA-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 10.19 ALOGPS logs -8.24 ALOGPS logp 17.81 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 847.319 ChemAxon mono_mass 846.673740618 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C55H90O6 ChemAxon inchi InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-30,34,36-37,39,52H,4-7,9-10,12-15,18,21-23,27,31-33,35,38,40-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-,39-36-/t52-/m0/s1 ChemAxon inchikey HPGZJQBTXAYDIF-YJUVKPSFSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 268.63 ChemAxon polarizability 106.46 ChemAxon rotatable_bond_count 46 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 196129 Specdb::MsMs 565135 Specdb::MsMs 565136 Specdb::MsMs 565137 Specdb::MsMs 922576 Specdb::MsMs 922577 Specdb::MsMs 922578 Specdb::MsMs 2280448 Specdb::MsMs 2280449 Specdb::MsMs 2280450 Specdb::MsMs 2652395 Specdb::MsMs 2652396 Specdb::MsMs 2652397 Specdb::MsMs 2749876 Specdb::MsMs 2749877 Specdb::MsMs 2749878 Specdb::MsMs 2928586 Specdb::MsMs 2928587 Specdb::MsMs 2928588 Specdb::MsMs 3032624 Specdb::MsMs 3032625 Specdb::MsMs 3032626 131753937 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme