1.0 2020-03-26 00:51:26 UTC 2020-04-22 19:26:05 UTC BMDB0100863 TG(22:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)) 1-Behenoyl-2-g-linolenoyl-3-meadoyl-glycerol 1-Docosanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol TAG(22:0/18:3/20:3) TAG(60:6) TG(22:0/18:3/20:3) TG(60:6) Tracylglycerol(22:0/18:3/20:3) Tracylglycerol(60:6) Triacylglycerol Triglyceride TG(22:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)) C63H110O6 963.567 962.830241262 (2S)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl docosanoate (2S)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl docosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34-35,37,42-43,45-46,60H,4-17,19-20,22-25,28,30-33,36,38-41,44,47-59H2,1-3H3/b21-18-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m1/s1 UYRLXLPLLFAUHZ-PLJKHQMYSA-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 10.91 ALOGPS logs -8.21 ALOGPS logp 22.09 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl docosanoate ChemAxon average_mass 963.567 ChemAxon mono_mass 962.830241262 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C63H110O6 ChemAxon inchi InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34-35,37,42-43,45-46,60H,4-17,19-20,22-25,28,30-33,36,38-41,44,47-59H2,1-3H3/b21-18-,29-26-,34-27-,37-35-,45-42-,46-43-/t60-/m1/s1 ChemAxon inchikey UYRLXLPLLFAUHZ-PLJKHQMYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 303.2 ChemAxon polarizability 127.43 ChemAxon rotatable_bond_count 56 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 648406 Specdb::MsMs 648407 Specdb::MsMs 648408 Specdb::MsMs 956035 Specdb::MsMs 956036 Specdb::MsMs 956037 Specdb::MsMs 2675377 Specdb::MsMs 2675378 Specdb::MsMs 2675379 Specdb::MsMs 2830393 Specdb::MsMs 2830394 Specdb::MsMs 2830395 Specdb::MsMs 2848295 Specdb::MsMs 2848296 Specdb::MsMs 2848297 Specdb::MsMs 2940155 Specdb::MsMs 2940156 Specdb::MsMs 2940157 Specdb::MsMs 3085336 Specdb::MsMs 3085337 Specdb::MsMs 3085338 131757564