1.0 2020-03-26 07:00:24 UTC 2020-04-22 19:51:00 UTC BMDB0104795 TG(20:3(5Z,8Z,11Z)/22:0/18:2(9Z,12Z)) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-docosanoyl-3-(9Z,12Z-octadecadienoyl)-glycerol 1-Meadoyl-2-behenoyl-3-linoleoyl-glycerol TAG(20:3/22:0/18:2) TAG(60:5) TG(20:3/22:0/18:2) TG(60:5) Tracylglycerol(20:3/22:0/18:2) Tracylglycerol(60:5) Triacylglycerol Triglyceride TG(20:3(5Z,8Z,11Z)/22:0/18:2(9Z,12Z)) C63H112O6 965.583 964.845891326 (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl docosanoate (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl docosanoate [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34-35,38,44,47,60H,4-17,19-20,22-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b21-18-,29-26-,34-27-,38-35-,47-44-/t60-/m1/s1 ANGCSMRUARXHTN-WZGMWKSFSA-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 10.90 ALOGPS logs -8.21 ALOGPS logp 22.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl docosanoate ChemAxon average_mass 965.583 ChemAxon mono_mass 964.845891326 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C63H112O6 ChemAxon inchi InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,34-35,38,44,47,60H,4-17,19-20,22-25,28,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b21-18-,29-26-,34-27-,38-35-,47-44-/t60-/m1/s1 ChemAxon inchikey ANGCSMRUARXHTN-WZGMWKSFSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 302.09 ChemAxon polarizability 128.12 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::MsMs 587890 Specdb::MsMs 587891 Specdb::MsMs 587892 Specdb::MsMs 931723 Specdb::MsMs 931724 Specdb::MsMs 931725 Specdb::MsMs 2328378 Specdb::MsMs 2328379 Specdb::MsMs 2328380 Specdb::MsMs 2340258 Specdb::MsMs 2340259 Specdb::MsMs 2340260 Specdb::MsMs 2625308 Specdb::MsMs 2625309 Specdb::MsMs 2625310 Specdb::MsMs 2971377 Specdb::MsMs 2971378 Specdb::MsMs 2971379 Specdb::MsMs 3039985 Specdb::MsMs 3039986 Specdb::MsMs 3039987 131761693