1.0 2020-03-26 09:25:36 UTC 2020-05-21 16:27:54 UTC BMDB0106629 TG(18:3(6Z,9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z)) 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-eicosanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol 1-g-Linolenoyl-2-arachidonyl-3-arachidonoyl-glycerol TAG(18:3/20:0/20:4) TAG(58:7) TG(18:3/20:0/20:4) TG(58:7) Tracylglycerol(18:3/20:0/20:4) Tracylglycerol(58:7) Triacylglycerol Triglyceride TG(18:3(6Z,9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z)) C61H104O6 933.497 932.783291069 (2S)-2-(icosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-2-(icosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32-33,36,38,41-42,45,58H,4-15,17,20,22-24,26,29-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,36-33-,41-38-,45-42-/t58-/m0/s1 VXCQEGLDTWJTNL-JWNPRWQOSA-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 10.80 ALOGPS logs -8.08 ALOGPS logp 20.84 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(icosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 933.497 ChemAxon mono_mass 932.783291069 ChemAxon smiles [H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C61H104O6 ChemAxon inchi InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,32-33,36,38,41-42,45,58H,4-15,17,20,22-24,26,29-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b19-16-,21-18-,28-25-,32-27-,36-33-,41-38-,45-42-/t58-/m0/s1 ChemAxon inchikey VXCQEGLDTWJTNL-JWNPRWQOSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 295.12 ChemAxon polarizability 120.91 ChemAxon rotatable_bond_count 53 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 242098 Specdb::MsMs 596584 Specdb::MsMs 596585 Specdb::MsMs 596586 Specdb::MsMs 935176 Specdb::MsMs 935177 Specdb::MsMs 935178 Specdb::MsMs 2263534 Specdb::MsMs 2263535 Specdb::MsMs 2263536 Specdb::MsMs 2374509 Specdb::MsMs 2374510 Specdb::MsMs 2374511 Specdb::MsMs 2560401 Specdb::MsMs 2560402 Specdb::MsMs 2560403 Specdb::MsMs 2899680 Specdb::MsMs 2899681 Specdb::MsMs 2899682 Specdb::MsMs 3013514 Specdb::MsMs 3013515 Specdb::MsMs 3013516 131763555 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme