1.0 2020-03-26 08:21:56 UTC 2020-04-22 19:57:17 UTC BMDB0105787 TG(24:1(15Z)/22:0/22:2(13Z,16Z)) 1-(15Z-Tetracosanoyl)-2-docosanoyl-3-(13Z,16Z-docosadienoyl)-glycerol 1-Nervonoyl-2-behenoyl-3-docosadienoyl-glycerol TAG(24:1/22:0/22:2) TAG(68:3) TG(24:1/22:0/22:2) TG(68:3) Tracylglycerol(24:1/22:0/22:2) Tracylglycerol(68:3) Triacylglycerol Triglyceride TG(24:1(15Z)/22:0/22:2(13Z,16Z)) C71H132O6 1081.831 1081.00239197 (2S)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-(docosanoyloxy)propyl (15Z)-tetracos-15-enoate (2S)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-(docosanoyloxy)propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C71H132O6/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/h17,20,25-26,28-29,68H,4-16,18-19,21-24,27,30-67H2,1-3H3/b20-17-,28-25-,29-26-/t68-/m1/s1 VBSVLBOBGBGZDP-QGCHZIISSA-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 10.69 ALOGPS logs -8.21 ALOGPS logp 26.73 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-(docosanoyloxy)propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 1081.831 ChemAxon mono_mass 1081.00239197 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C71H132O6 ChemAxon inchi InChI=1S/C71H132O6/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/h17,20,25-26,28-29,68H,4-16,18-19,21-24,27,30-67H2,1-3H3/b20-17-,28-25-,29-26-/t68-/m1/s1 ChemAxon inchikey VBSVLBOBGBGZDP-QGCHZIISSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 336.66 ChemAxon polarizability 147.4 ChemAxon rotatable_bond_count 67 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 198116 Specdb::MsMs 568585 Specdb::MsMs 568586 Specdb::MsMs 568587 Specdb::MsMs 923947 Specdb::MsMs 923948 Specdb::MsMs 923949 Specdb::MsMs 2503916 Specdb::MsMs 2503917 Specdb::MsMs 2503918 Specdb::MsMs 2697915 Specdb::MsMs 2697916 Specdb::MsMs 2697917 Specdb::MsMs 2826349 Specdb::MsMs 2826350 Specdb::MsMs 2826351 Specdb::MsMs 2984420 Specdb::MsMs 2984421 Specdb::MsMs 2984422 Specdb::MsMs 3040543 Specdb::MsMs 3040544 Specdb::MsMs 3040545 131762695