1.0 2020-03-26 02:09:07 UTC 2020-04-22 19:31:57 UTC BMDB0101788 TG(24:0/20:4(8Z,11Z,14Z,17Z)/24:0) Tracylglycerol(68:4) Triacylglycerol Tracylglycerol(24:0/20:4/24:0) Triglyceride TG(24:0/20:4/24:0) TAG(24:0/20:4/24:0) 1-Lignoceroyl-2-eicsoatetraenoyl-3-lignoceroyl-glycerol TG(68:4) 1-Tetracosanoyl-2-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-tetracosanoyl-glycerol TAG(68:4) TG(24:0/20:4(8Z,11Z,14Z,17Z)/24:0) C71H130O6 1079.7883 1078.986741892 2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-(tetracosanoyloxy)propyl tetracosanoate 2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-(tetracosanoyloxy)propyl tetracosanoate [H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,44,47,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-43,45-46,48-67H2,1-3H3/b12-9-,21-18-,30-27-,47-44- OKTLPMREZBVAFO-PLXMHZSSSA-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 -8.22 ALOGPS logp 26.37 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-(tetracosanoyloxy)propyl tetracosanoate ChemAxon average_mass 1079.7883 ChemAxon mono_mass 1078.986741892 ChemAxon smiles [H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C71H130O6 ChemAxon inchi InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,44,47,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-43,45-46,48-67H2,1-3H3/b12-9-,21-18-,30-27-,47-44- ChemAxon inchikey OKTLPMREZBVAFO-PLXMHZSSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 337.78 ChemAxon polarizability 147.64 ChemAxon rotatable_bond_count 66 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 683371 Specdb::MsMs 683372 Specdb::MsMs 683373 Specdb::MsMs 2387615 Specdb::MsMs 2387616 Specdb::MsMs 2387617 Specdb::MsMs 2477735 Specdb::MsMs 2477736 Specdb::MsMs 2477737 Specdb::MsMs 2838519 Specdb::MsMs 2838520 Specdb::MsMs 2838521 Specdb::MsMs 2867856 Specdb::MsMs 2867857 Specdb::MsMs 2867858 Specdb::MsMs 2916653 Specdb::MsMs 2916654 Specdb::MsMs 2916655