1.0 2020-03-26 10:22:03 UTC 2020-04-22 20:07:28 UTC BMDB0107379 TG(20:3n6/15:0/18:4(6Z,9Z,12Z,15Z)) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-pentadecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Homo-g-linolenoyl-2-pentadecanoyl-3-stearidonoyl-glycerol TAG(20:3/15:0/18:4) TAG(20:3n6/15:0/18:4) TAG(20:3W6/15:0/18:4) TAG(53:7) TG(20:3/15:0/18:4) TG(20:3n6/15:0/18:4) TG(20:3W6/15:0/18:4) TG(53:7) Tracylglycerol(20:3/15:0/18:4) Tracylglycerol(20:3n6/15:0/18:4) Tracylglycerol(20:3W6/15:0/18:4) Tracylglycerol(53:7) Triacylglycerol Triglyceride 1-Dihomo-gamma-linolenoyl-2-pentadecanoyl-3-stearidonoyl-glycerol TG(20:3n6/15:0/18:4n3) TG(20:3W6/15:0/18:4W3) Tag(20:3(8Z,11Z,14Z)/15:0/18:4(6Z,9Z,12Z,15Z)) Tag(20:3n6/15:0/18:4n3) Tag(20:3W6/15:0/18:4W3) Triacylglycerol(20:3(8Z,11Z,14Z)/15:0/18:4(6Z,9Z,12Z,15Z)) Triacylglycerol(20:3/15:0/18:4) Triacylglycerol(20:3n6/15:0/18:4n3) Triacylglycerol(20:3W6/15:0/18:4W3) Triacylglycerol(53:7) TG(20:3(8Z,11Z,14Z)/15:0/18:4(6Z,9Z,12Z,15Z)) TG(20:3n6/15:0/18:4(6Z,9Z,12Z,15Z)) C56H94O6 863.362 862.705040747 (2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(pentadecanoyloxy)propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate (2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(pentadecanoyloxy)propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,34,36,53H,4-7,9-10,12-15,18,21-24,28,31,33,35,37-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,36-34-/t53-/m1/s1 NLBNDRSWJTZVCI-YHTQJXETSA-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 10.51 ALOGPS logs -8.23 ALOGPS logp 18.61 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(pentadecanoyloxy)propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate ChemAxon average_mass 863.362 ChemAxon mono_mass 862.705040747 ChemAxon smiles [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C56H94O6 ChemAxon inchi InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,32,34,36,53H,4-7,9-10,12-15,18,21-24,28,31,33,35,37-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,32-30-,36-34-/t53-/m1/s1 ChemAxon inchikey NLBNDRSWJTZVCI-YHTQJXETSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 272.11 ChemAxon polarizability 110.17 ChemAxon rotatable_bond_count 48 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 569449 Specdb::MsMs 569450 Specdb::MsMs 569451 Specdb::MsMs 924232 Specdb::MsMs 924233 Specdb::MsMs 924234 Specdb::MsMs 2589055 Specdb::MsMs 2589056 Specdb::MsMs 2589057 Specdb::MsMs 2618240 Specdb::MsMs 2618241 Specdb::MsMs 2618242 Specdb::MsMs 2687570 Specdb::MsMs 2687571 Specdb::MsMs 2687572 Specdb::MsMs 2707922 Specdb::MsMs 2707923 Specdb::MsMs 2707924 Specdb::MsMs 3000817 Specdb::MsMs 3000818 Specdb::MsMs 3000819 131764311