1.0 2020-03-25 18:49:09 UTC 2020-04-22 19:12:13 UTC BMDB0098667 TG(16:0/14:1(9Z)/20:0) 1-Hexadecanoyl-2-(9Z-tetradecenoyl)-3-eicosanoyl-glycerol 1-Palmitoyl-2-myristoleoyl-3-arachidonyl-glycerol TAG(16:0/14:1/20:0) TAG(50:1) TG(16:0/14:1/20:0) TG(50:1) Tracylglycerol(16:0/14:1/20:0) Tracylglycerol(50:1) Triacylglycerol Triglyceride TG(16:0/14:1(9Z)/20:0) C53H100O6 833.377 832.75199094 (2S)-3-(hexadecanoyloxy)-2-[(9Z)-tetradec-9-enoyloxy]propyl icosanoate (2S)-3-(hexadecanoyloxy)-2-[(9Z)-tetradec-9-enoyloxy]propyl icosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h15,18,50H,4-14,16-17,19-49H2,1-3H3/b18-15-/t50-/m0/s1 CFVQZUVDWQNPEM-JDGSYGFWSA-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 10.68 ALOGPS logs -7.88 ALOGPS logp 19.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(hexadecanoyloxy)-2-[(9Z)-tetradec-9-enoyloxy]propyl icosanoate ChemAxon average_mass 833.377 ChemAxon mono_mass 832.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C53H100O6 ChemAxon inchi InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h15,18,50H,4-14,16-17,19-49H2,1-3H3/b18-15-/t50-/m0/s1 ChemAxon inchikey CFVQZUVDWQNPEM-JDGSYGFWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 251.61 ChemAxon polarizability 112.27 ChemAxon rotatable_bond_count 51 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 677890 Specdb::MsMs 677891 Specdb::MsMs 677892 Specdb::MsMs 967798 Specdb::MsMs 967799 Specdb::MsMs 967800 Specdb::MsMs 2398161 Specdb::MsMs 2398162 Specdb::MsMs 2398163 Specdb::MsMs 2536817 Specdb::MsMs 2536818 Specdb::MsMs 2536819 Specdb::MsMs 2635324 Specdb::MsMs 2635325 Specdb::MsMs 2635326 Specdb::MsMs 2735699 Specdb::MsMs 2735700 Specdb::MsMs 2735701 Specdb::MsMs 3059230 Specdb::MsMs 3059231 Specdb::MsMs 3059232 131755115