1.0 2020-03-26 08:40:46 UTC 2020-04-22 19:58:56 UTC BMDB0106034 TG(24:1(15Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 1-(15Z-Tetracosanoyl)-2-(13Z,16Z-docosadienoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol 1-Nervonoyl-2-docosadienoyl-3-docosapentaenoyl-glycerol TAG(24:1/22:2/22:5) TAG(68:8) TG(24:1/22:2/22:5) TG(68:8) Tracylglycerol(24:1/22:2/22:5) Tracylglycerol(68:8) Triacylglycerol Triglyceride TG(24:1(15Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C71H122O6 1071.751 1070.924141648 (2S)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propyl (15Z)-tetracos-15-enoate (2S)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C71H122O6/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/h8,11,17-18,20-21,25-30,36,39,45,48,68H,4-7,9-10,12-16,19,22-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1 KOWBZSFFVWCDMD-UOTNYSBBSA-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 10.87 ALOGPS logs -8.15 ALOGPS logp 24.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 1071.751 ChemAxon mono_mass 1070.924141648 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C71H122O6 ChemAxon inchi InChI=1S/C71H122O6/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/h8,11,17-18,20-21,25-30,36,39,45,48,68H,4-7,9-10,12-16,19,22-24,31-35,37-38,40-44,46-47,49-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-/t68-/m1/s1 ChemAxon inchikey KOWBZSFFVWCDMD-UOTNYSBBSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 342.24 ChemAxon polarizability 141.01 ChemAxon rotatable_bond_count 62 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::CMs 212867 Specdb::MsMs 623221 Specdb::MsMs 623222 Specdb::MsMs 623223 Specdb::MsMs 945940 Specdb::MsMs 945941 Specdb::MsMs 945942 Specdb::MsMs 2304096 Specdb::MsMs 2304097 Specdb::MsMs 2304098 Specdb::MsMs 2764817 Specdb::MsMs 2764818 Specdb::MsMs 2764819 Specdb::MsMs 2790428 Specdb::MsMs 2790429 Specdb::MsMs 2790430 Specdb::MsMs 2915609 Specdb::MsMs 2915610 Specdb::MsMs 2915611 Specdb::MsMs 3049151 Specdb::MsMs 3049152 Specdb::MsMs 3049153 131762941