1.0 2020-03-26 08:23:28 UTC 2020-04-22 19:57:25 UTC BMDB0105808 TG(24:1(15Z)/24:0/20:4(8Z,11Z,14Z,17Z)) 1-(15Z-Tetracosanoyl)-2-tetracosanoyl-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-Nervonoyl-2-lignoceroyl-3-eicsoatetraenoyl-glycerol TAG(24:1/24:0/20:4) TAG(68:5) TG(24:1/24:0/20:4) TG(68:5) Tracylglycerol(24:1/24:0/20:4) Tracylglycerol(68:5) Triacylglycerol Triglyceride TG(24:1(15Z)/24:0/20:4(8Z,11Z,14Z,17Z)) C71H128O6 1077.799 1076.971091842 (2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(tetracosanoyloxy)propyl (15Z)-tetracos-15-enoate (2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(tetracosanoyloxy)propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,42,45,68H,4-8,10-11,13-17,19-20,22-24,26,29,31-41,43-44,46-67H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,45-42-/t68-/m1/s1 LAERRRRZYXXUII-UICXUIQRSA-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 -8.25 ALOGPS logp 26.01 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(tetracosanoyloxy)propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 1077.799 ChemAxon mono_mass 1076.971091842 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C71H128O6 ChemAxon inchi InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,42,45,68H,4-8,10-11,13-17,19-20,22-24,26,29,31-41,43-44,46-67H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,45-42-/t68-/m1/s1 ChemAxon inchikey LAERRRRZYXXUII-UICXUIQRSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 338.89 ChemAxon polarizability 145.35 ChemAxon rotatable_bond_count 65 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 634390 Specdb::MsMs 634391 Specdb::MsMs 634392 Specdb::MsMs 950509 Specdb::MsMs 950510 Specdb::MsMs 950511 Specdb::MsMs 2390242 Specdb::MsMs 2390243 Specdb::MsMs 2390244 Specdb::MsMs 2396532 Specdb::MsMs 2396533 Specdb::MsMs 2396534 Specdb::MsMs 2542229 Specdb::MsMs 2542230 Specdb::MsMs 2542231 Specdb::MsMs 2579157 Specdb::MsMs 2579158 Specdb::MsMs 2579159 Specdb::MsMs 2792240 Specdb::MsMs 2792241 Specdb::MsMs 2792242 131762716