1.0 2020-03-26 07:12:02 UTC 2020-04-22 19:51:52 UTC BMDB0104930 TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Meadoyl-2-meadoyl-3-stearidonoyl-glycerol TAG(20:3/20:3/18:4) TAG(58:10) TG(20:3/20:3/18:4) TG(58:10) Tracylglycerol(20:3/20:3/18:4) Tracylglycerol(58:10) Triacylglycerol Triglyceride TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)) C61H98O6 927.449 926.736340876 (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C61H98O6/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/h9,12,18,21,25-29,32-34,36-38,41-43,45-46,58H,4-8,10-11,13-17,19-20,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-/t58-/m1/s1 CRUHGROKOJPEDF-NQCIGATESA-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 10.22 ALOGPS logs -8.27 ALOGPS logp 19.75 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 927.449 ChemAxon mono_mass 926.736340876 ChemAxon smiles [H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C61H98O6 ChemAxon inchi InChI=1S/C61H98O6/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/h9,12,18,21,25-29,32-34,36-38,41-43,45-46,58H,4-8,10-11,13-17,19-20,22-24,30-31,35,39-40,44,47-57H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-,45-42-,46-43-/t58-/m1/s1 ChemAxon inchikey CRUHGROKOJPEDF-NQCIGATESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 298.47 ChemAxon polarizability 118.22 ChemAxon rotatable_bond_count 50 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 228027 Specdb::MsMs 638014 Specdb::MsMs 638015 Specdb::MsMs 638016 Specdb::MsMs 951952 Specdb::MsMs 951953 Specdb::MsMs 951954 Specdb::MsMs 2375060 Specdb::MsMs 2375061 Specdb::MsMs 2375062 Specdb::MsMs 2472402 Specdb::MsMs 2472403 Specdb::MsMs 2472404 Specdb::MsMs 2561043 Specdb::MsMs 2561044 Specdb::MsMs 2561045 Specdb::MsMs 2894936 Specdb::MsMs 2894937 Specdb::MsMs 2894938 Specdb::MsMs 2907489 Specdb::MsMs 2907490 Specdb::MsMs 2907491 131761828