1.0 2020-03-26 12:01:11 UTC 2020-04-22 20:15:31 UTC BMDB0108649 TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/18:3(9Z,12Z,15Z)) 1-(4Z,7Z,10Z,13Z,16Z-Docosapentaenoyl)-2-tetracosanoyl-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-Osbondoyl-2-lignoceroyl-3-a-linolenoyl-glycerol TAG(22:5/24:0/18:3) TAG(64:8) TG(22:5/24:0/18:3) TG(64:8) Tracylglycerol(22:5/24:0/18:3) Tracylglycerol(64:8) Triacylglycerol Triglyceride TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/18:3(9Z,12Z,15Z)) C67H114O6 1015.643 1014.861541391 (2R)-1-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl tetracosanoate (2R)-1-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl tetracosanoate [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,42,45,51,54,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,54-51-/t64-/m1/s1 RYCTXUBDDWFPAG-BPOFUZSYSA-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 -8.12 ALOGPS logp 23.14 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 1015.643 ChemAxon mono_mass 1014.861541391 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C67H114O6 ChemAxon inchi InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34,36,38,42,45,51,54,64H,4-8,10-11,13-16,19,22-25,28,30-33,35,37,39-41,43-44,46-50,52-53,55-63H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-34-,38-27-,45-42-,54-51-/t64-/m1/s1 ChemAxon inchikey RYCTXUBDDWFPAG-BPOFUZSYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 323.84 ChemAxon polarizability 132.16 ChemAxon rotatable_bond_count 58 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 211525 Specdb::MsMs 608002 Specdb::MsMs 608003 Specdb::MsMs 608004 Specdb::MsMs 939775 Specdb::MsMs 939776 Specdb::MsMs 939777 Specdb::MsMs 2296040 Specdb::MsMs 2296041 Specdb::MsMs 2296042 Specdb::MsMs 2341515 Specdb::MsMs 2341516 Specdb::MsMs 2341517 Specdb::MsMs 2379276 Specdb::MsMs 2379277 Specdb::MsMs 2379278 Specdb::MsMs 2643054 Specdb::MsMs 2643055 Specdb::MsMs 2643056 Specdb::MsMs 2985970 Specdb::MsMs 2985971 Specdb::MsMs 2985972 131765502