1.0 2020-03-26 01:30:10 UTC 2020-04-22 19:29:00 UTC BMDB0101324 TG(24:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z)) 1-Lignoceroyl-2-behenoyl-3-osbondoyl-glycerol 1-Tetracosanoyl-2-docosanoyl-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol TAG(24:0/22:0/22:5) TAG(68:5) TG(24:0/22:0/22:5) TG(68:5) Tracylglycerol(24:0/22:0/22:5) Tracylglycerol(68:5) Triacylglycerol Triglyceride TG(24:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z)) C71H128O6 1077.799 1076.971091842 (2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(docosanoyloxy)propyl tetracosanoate (2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(docosanoyloxy)propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,45,48,54,57,68H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,29-26-,39-36-,48-45-,57-54-/t68-/m1/s1 SYMCUBGGIPDUMS-YUXLNRFSSA-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 10.86 ALOGPS logs -8.27 ALOGPS logp 26.01 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(docosanoyloxy)propyl tetracosanoate ChemAxon average_mass 1077.799 ChemAxon mono_mass 1076.971091842 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C71H128O6 ChemAxon inchi InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,45,48,54,57,68H,4-16,18-19,21-25,27-28,30-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,29-26-,39-36-,48-45-,57-54-/t68-/m1/s1 ChemAxon inchikey SYMCUBGGIPDUMS-YUXLNRFSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 338.89 ChemAxon polarizability 145.12 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 676600 Specdb::MsMs 676601 Specdb::MsMs 676602 Specdb::MsMs 967246 Specdb::MsMs 967247 Specdb::MsMs 967248 Specdb::MsMs 2580681 Specdb::MsMs 2580682 Specdb::MsMs 2580683 Specdb::MsMs 2708156 Specdb::MsMs 2708157 Specdb::MsMs 2708158 Specdb::MsMs 2747644 Specdb::MsMs 2747645 Specdb::MsMs 2747646 Specdb::MsMs 2786584 Specdb::MsMs 2786585 Specdb::MsMs 2786586 Specdb::MsMs 2931711 Specdb::MsMs 2931712 Specdb::MsMs 2931713 131757985