1.0 2020-03-25 20:40:01 UTC 2020-04-22 19:13:02 UTC BMDB0098796 TG(16:0/24:1(15Z)/22:0) 1-Hexadecanoyl-2-(15Z-tetracosanoyl)-3-docosanoyl-glycerol 1-Palmitoyl-2-nervonoyl-3-behenoyl-glycerol TAG(16:0/24:1/22:0) TAG(62:1) TG(16:0/24:1/22:0) TG(62:1) Tracylglycerol(16:0/24:1/22:0) Tracylglycerol(62:1) Triacylglycerol Triglyceride TG(16:0/24:1(15Z)/22:0) C65H124O6 1001.701 1000.939791713 (2S)-1-(docosanoyloxy)-3-(hexadecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate (2S)-1-(docosanoyloxy)-3-(hexadecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,62H,4-24,26,28-61H2,1-3H3/b27-25-/t62-/m0/s1 UJCDUVGCWMTHQT-SWQRNEPRSA-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 10.67 ALOGPS logs -7.96 ALOGPS logp 24.79 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(docosanoyloxy)-3-(hexadecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 1001.701 ChemAxon mono_mass 1000.939791713 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C65H124O6 ChemAxon inchi InChI=1S/C65H124O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h25,27,62H,4-24,26,28-61H2,1-3H3/b27-25-/t62-/m0/s1 ChemAxon inchikey UJCDUVGCWMTHQT-SWQRNEPRSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 306.82 ChemAxon polarizability 137.61 ChemAxon rotatable_bond_count 63 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 217407 Specdb::MsMs 678403 Specdb::MsMs 678404 Specdb::MsMs 678405 Specdb::MsMs 967966 Specdb::MsMs 967967 Specdb::MsMs 967968 Specdb::MsMs 2376572 Specdb::MsMs 2376573 Specdb::MsMs 2376574 Specdb::MsMs 2469721 Specdb::MsMs 2469722 Specdb::MsMs 2469723 Specdb::MsMs 2490425 Specdb::MsMs 2490426 Specdb::MsMs 2490427 Specdb::MsMs 2562549 Specdb::MsMs 2562550 Specdb::MsMs 2562551 Specdb::MsMs 2897166 Specdb::MsMs 2897167 Specdb::MsMs 2897168 131755292