1.0 2020-03-26 01:46:07 UTC 2020-04-22 19:30:13 UTC BMDB0101514 TG(24:0/22:1(13Z)/22:2(13Z,16Z)) 1-Lignoceroyl-2-erucoyl-3-docosadienoyl-glycerol 1-Tetracosanoyl-2-(13Z-docosenoyl)-3-(13Z,16Z-docosadienoyl)-glycerol TAG(24:0/22:1/22:2) TAG(68:3) TG(24:0/22:1/22:2) TG(68:3) Tracylglycerol(24:0/22:1/22:2) Tracylglycerol(68:3) Triacylglycerol Triglyceride TG(24:0/22:1(13Z)/22:2(13Z,16Z)) C71H132O6 1081.831 1081.00239197 (2S)-2-[(13Z)-docos-13-enoyloxy]-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]propyl tetracosanoate (2S)-2-[(13Z)-docos-13-enoyloxy]-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC 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/h17,20,26-27,29-30,68H,4-16,18-19,21-25,28,31-67H2,1-3H3/b20-17-,29-26-,30-27-/t68-/m1/s1 YSDMGIWOSZZXAO-YUTHXENSSA-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)-2-[(13Z)-docos-13-enoyloxy]-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]propyl tetracosanoate ChemAxon average_mass 1081.831 ChemAxon mono_mass 1081.00239197 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC 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/h17,20,26-27,29-30,68H,4-16,18-19,21-25,28,31-67H2,1-3H3/b20-17-,29-26-,30-27-/t68-/m1/s1 ChemAxon inchikey YSDMGIWOSZZXAO-YUTHXENSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 336.66 ChemAxon polarizability 147.59 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::MsMs 593929 Specdb::MsMs 593930 Specdb::MsMs 593931 Specdb::MsMs 934123 Specdb::MsMs 934124 Specdb::MsMs 934125 Specdb::MsMs 2640211 Specdb::MsMs 2640212 Specdb::MsMs 2640213 Specdb::MsMs 2806988 Specdb::MsMs 2806989 Specdb::MsMs 2806990 Specdb::MsMs 2898378 Specdb::MsMs 2898379 Specdb::MsMs 2898380 Specdb::MsMs 2934288 Specdb::MsMs 2934289 Specdb::MsMs 2934290 Specdb::MsMs 3094924 Specdb::MsMs 3094925 Specdb::MsMs 3094926 131758174