1.0 2020-03-26 11:21:50 UTC 2020-04-22 20:12:20 UTC BMDB0108147 TG(22:2(13Z,16Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) 1-(13Z,16Z-Docosadienoyl)-2-(11-eicosenoyl)-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-Docosadienoyl-2-eicosenoyl-3-eicsoatetraenoyl-glycerol TAG(22:2/20:1/20:4) TAG(62:7) TG(22:2/20:1/20:4) TG(62:7) Tracylglycerol(22:2/20:1/20:4) Tracylglycerol(62:7) Triacylglycerol Triglyceride TG(22:2(13Z,16Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C65H112O6 989.605 988.845891326 (2S)-2-[(11Z)-icos-11-enoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate (2S)-2-[(11Z)-icos-11-enoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate [H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,36,39,62H,4-7,9-10,12-15,18,21-24,31-35,37-38,40-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1 VZBBSGBJWDANFX-AVLGGDDWSA-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 10.83 ALOGPS logs -8.11 ALOGPS logp 22.61 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(11Z)-icos-11-enoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 989.605 ChemAxon mono_mass 988.845891326 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C65H112O6 ChemAxon inchi InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,36,39,62H,4-7,9-10,12-15,18,21-24,31-35,37-38,40-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,39-36-/t62-/m1/s1 ChemAxon inchikey VZBBSGBJWDANFX-AVLGGDDWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 313.52 ChemAxon polarizability 129.48 ChemAxon rotatable_bond_count 57 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 229142 Specdb::MsMs 597670 Specdb::MsMs 597671 Specdb::MsMs 597672 Specdb::MsMs 935623 Specdb::MsMs 935624 Specdb::MsMs 935625 Specdb::MsMs 2502806 Specdb::MsMs 2502807 Specdb::MsMs 2502808 Specdb::MsMs 2665675 Specdb::MsMs 2665676 Specdb::MsMs 2665677 Specdb::MsMs 2825155 Specdb::MsMs 2825156 Specdb::MsMs 2825157 Specdb::MsMs 3016995 Specdb::MsMs 3016996 Specdb::MsMs 3016997 Specdb::MsMs 3055025 Specdb::MsMs 3055026 Specdb::MsMs 3055027 131765046