1.0 2020-03-26 02:55:14 UTC 2020-05-21 16:27:25 UTC BMDB0101939 TG(14:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z)) 1-(9Z-Tetradecenoyl)-2-pentadecanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol 1-Myristoleoyl-2-pentadecanoyl-3-arachidonoyl-glycerol TAG(14:1/15:0/20:4) TAG(49:5) TG(14:1/15:0/20:4) TG(49:5) Tracylglycerol(14:1/15:0/20:4) Tracylglycerol(49:5) Triacylglycerol Triglyceride TG(14:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z)) C52H90O6 811.286 810.673740618 (2S)-2-(pentadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-2-(pentadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,33,36,49H,4-14,17,20-23,26,29-32,34-35,37-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,36-33-/t49-/m0/s1 QNLQZXOKXMBLEP-PQOGXPGPSA-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 10.57 ALOGPS logs -7.96 ALOGPS logp 17.56 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(pentadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 811.286 ChemAxon mono_mass 810.673740618 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C52H90O6 ChemAxon inchi InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,33,36,49H,4-14,17,20-23,26,29-32,34-35,37-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,36-33-/t49-/m0/s1 ChemAxon inchikey QNLQZXOKXMBLEP-PQOGXPGPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 251.47 ChemAxon polarizability 104.51 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 216197 Specdb::MsMs 636196 Specdb::MsMs 636197 Specdb::MsMs 636198 Specdb::MsMs 2296283 Specdb::MsMs 2296284 Specdb::MsMs 2296285 Specdb::MsMs 2325201 Specdb::MsMs 2325202 Specdb::MsMs 2325203 Specdb::MsMs 2610008 Specdb::MsMs 2610009 Specdb::MsMs 2610010 Specdb::MsMs 2889763 Specdb::MsMs 2889764 Specdb::MsMs 2889765 Specdb::MsMs 3048038 Specdb::MsMs 3048039 Specdb::MsMs 3048040 131758601 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme