1.0 2020-03-26 02:02:13 UTC 2020-04-22 19:31:26 UTC BMDB0101706 TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)) 1-Lignoceroyl-2-adrenoyl-3-docosadienoyl-glycerol 1-Tetracosanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(13Z,16Z-docosadienoyl)-glycerol TAG(24:0/22:4/22:2) TAG(68:6) TG(24:0/22:4/22:2) TG(68:6) Tracylglycerol(24:0/22:4/22:2) Tracylglycerol(68:6) Triacylglycerol Triglyceride TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)) C71H126O6 1075.783 1074.955441777 (2S)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]propyl tetracosanoate (2S)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C71H126O6/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/h17-18,20-21,26-27,29-30,37,41,47,50,68H,4-16,19,22-25,28,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-37-,50-47-/t68-/m1/s1 AJTGPFRWUJAWSB-RUDZZKANSA-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 10.85 ALOGPS logs -8.29 ALOGPS logp 25.64 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]propyl tetracosanoate ChemAxon average_mass 1075.783 ChemAxon mono_mass 1074.955441777 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C71H126O6 ChemAxon inchi InChI=1S/C71H126O6/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/h17-18,20-21,26-27,29-30,37,41,47,50,68H,4-16,19,22-25,28,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-37-,50-47-/t68-/m1/s1 ChemAxon inchikey AJTGPFRWUJAWSB-RUDZZKANSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 340.01 ChemAxon polarizability 142.72 ChemAxon rotatable_bond_count 64 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 573481 Specdb::MsMs 573482 Specdb::MsMs 573483 Specdb::MsMs 925897 Specdb::MsMs 925898 Specdb::MsMs 925899 Specdb::MsMs 2331434 Specdb::MsMs 2331435 Specdb::MsMs 2331436 Specdb::MsMs 2511463 Specdb::MsMs 2511464 Specdb::MsMs 2511465 Specdb::MsMs 2631596 Specdb::MsMs 2631597 Specdb::MsMs 2631598 Specdb::MsMs 2833302 Specdb::MsMs 2833303 Specdb::MsMs 2833304 Specdb::MsMs 3034982 Specdb::MsMs 3034983 Specdb::MsMs 3034984 131758365