1.0 2020-03-26 11:17:45 UTC 2020-04-22 20:12:00 UTC BMDB0108094 TG(22:2(13Z,16Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z)) 1-(13Z,16Z-Docosadienoyl)-2-tetracosanoyl-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol 1-Docosadienoyl-2-lignoceroyl-3-osbondoyl-glycerol TAG(22:2/24:0/22:5) TAG(68:7) TG(22:2/24:0/22:5) TG(68:7) Tracylglycerol(22:2/24:0/22:5) Tracylglycerol(68:7) Triacylglycerol Triglyceride TG(22:2(13Z,16Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z)) C71H124O6 1073.767 1072.939791713 (2S)-1-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]propan-2-yl tetracosanoate (2S)-1-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]propan-2-yl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(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)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36,39,45,48,54,57,68H,4-16,19,22-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1 UWWOFLUDDJFTKP-GBQUTBKGSA-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 10.97 ALOGPS logs -8.26 ALOGPS logp 25.28 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 1073.767 ChemAxon mono_mass 1072.939791713 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C71H124O6 ChemAxon inchi InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(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)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,36,39,45,48,54,57,68H,4-16,19,22-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1 ChemAxon inchikey UWWOFLUDDJFTKP-GBQUTBKGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 341.13 ChemAxon polarizability 142.39 ChemAxon rotatable_bond_count 63 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 613006 Specdb::MsMs 613007 Specdb::MsMs 613008 Specdb::MsMs 941809 Specdb::MsMs 941810 Specdb::MsMs 941811 Specdb::MsMs 2620826 Specdb::MsMs 2620827 Specdb::MsMs 2620828 Specdb::MsMs 2670522 Specdb::MsMs 2670523 Specdb::MsMs 2670524 Specdb::MsMs 2719758 Specdb::MsMs 2719759 Specdb::MsMs 2719760 Specdb::MsMs 3008665 Specdb::MsMs 3008666 Specdb::MsMs 3008667 Specdb::MsMs 3054776 Specdb::MsMs 3054777 Specdb::MsMs 3054778 131764995