1.0 2020-03-26 06:42:41 UTC 2020-04-22 19:49:41 UTC BMDB0104589 TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z)) Triacylglycerol TG(58:6) Tracylglycerol(20:1/18:4/20:1) Triglyceride Tracylglycerol(58:6) TAG(58:6) TAG(20:1/18:4/20:1) TG(20:1/18:4/20:1) 1-(11-Eicosenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(11-eicosenoyl)-glycerol 1-Eicosenoyl-2-stearidonoyl-3-eicosenoyl-glycerol TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z)) C61H106O6 935.4907 934.798941124 3-[(11Z)-icos-11-enoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (11Z)-icos-11-enoate 3-[(11Z)-icos-11-enoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (11Z)-icos-11-enoate [H]C(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32,40,43,58H,4-8,10-11,13-17,19-20,22-24,30-31,33-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,43-40- RFXVCCCLNBMOFF-AWVJYTBESA-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 10.82 ALOGPS logs -8.09 ALOGPS logp 21.2 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 3-[(11Z)-icos-11-enoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (11Z)-icos-11-enoate ChemAxon average_mass 935.4907 ChemAxon mono_mass 934.798941124 ChemAxon smiles [H]C(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C61H106O6 ChemAxon inchi InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,32,40,43,58H,4-8,10-11,13-17,19-20,22-24,30-31,33-39,41-42,44-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,43-40- ChemAxon inchikey RFXVCCCLNBMOFF-AWVJYTBESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 294 ChemAxon polarizability 122.52 ChemAxon rotatable_bond_count 54 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 677167 Specdb::MsMs 677168 Specdb::MsMs 677169 Specdb::MsMs 2379468 Specdb::MsMs 2379469 Specdb::MsMs 2379470 Specdb::MsMs 2383565 Specdb::MsMs 2383566 Specdb::MsMs 2383567 Specdb::MsMs 2439799 Specdb::MsMs 2439800 Specdb::MsMs 2439801 Specdb::MsMs 2522901 Specdb::MsMs 2522902 Specdb::MsMs 2522903 Specdb::MsMs 2920375 Specdb::MsMs 2920376 Specdb::MsMs 2920377 131761491