1.0 2020-03-26 00:05:24 UTC 2020-04-22 19:22:37 UTC BMDB0100314 TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:0) TG(62:4) Triacylglycerol TAG(20:0/22:4/20:0) 1-Arachidonyl-2-adrenoyl-3-arachidonyl-glycerol Triglyceride Tracylglycerol(62:4) TAG(62:4) Tracylglycerol(20:0/22:4/20:0) 1-Eicosanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-eicosanoyl-glycerol TG(20:0/22:4/20:0) TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:0) C65H118O6 995.6288 994.892841508 1,3-bis(icosanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate 1,3-bis(icosanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H]C(COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,41,44,62H,4-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-61H2,1-3H3/b19-16-,28-25-,35-32-,44-41- GCLMYTSDFPVWLU-BJXRAQSQSA-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 10.84 ALOGPS logs -8.24 ALOGPS logp 23.7 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis(icosanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 995.6288 ChemAxon mono_mass 994.892841508 ChemAxon smiles [H]C(COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C65H118O6 ChemAxon inchi InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19,25,28,32,35,41,44,62H,4-15,17-18,20-24,26-27,29-31,33-34,36-40,42-43,45-61H2,1-3H3/b19-16-,28-25-,35-32-,44-41- ChemAxon inchikey GCLMYTSDFPVWLU-BJXRAQSQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 310.17 ChemAxon polarizability 133.3 ChemAxon rotatable_bond_count 60 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 242842 Specdb::MsMs 569917 Specdb::MsMs 569918 Specdb::MsMs 569919 Specdb::MsMs 2363312 Specdb::MsMs 2363313 Specdb::MsMs 2363314 Specdb::MsMs 2601068 Specdb::MsMs 2601069 Specdb::MsMs 2601070 Specdb::MsMs 2603015 Specdb::MsMs 2603016 Specdb::MsMs 2603017 Specdb::MsMs 2699327 Specdb::MsMs 2699328 Specdb::MsMs 2699329 Specdb::MsMs 3035024 Specdb::MsMs 3035025 Specdb::MsMs 3035026 131756985