1.0 2020-03-25 17:43:27 UTC 2020-05-21 16:27:30 UTC BMDB0097873 TG(15:0/16:0/18:3(6Z,9Z,12Z)) 1-Pentadecanoyl-2-hexadecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol 1-Pentadecanoyl-2-palmitoyl-3-g-linolenoyl-glycerol TAG(15:0/16:0/18:3) TAG(49:3) TG(15:0/16:0/18:3) TG(49:3) Tracylglycerol(15:0/16:0/18:3) Tracylglycerol(49:3) Triacylglycerol Triglyceride TG(15:0/16:0/18:3(6Z,9Z,12Z)) C52H94O6 815.318 814.705040747 (2S)-2-(hexadecanoyloxy)-3-(pentadecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (2S)-2-(hexadecanoyloxy)-3-(pentadecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h16,19,25-26,30,33,49H,4-15,17-18,20-24,27-29,31-32,34-48H2,1-3H3/b19-16-,26-25-,33-30-/t49-/m0/s1 FCGGXXYTFXCYOY-RHHOBUGWSA-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 Lineolic acids and 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 Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.73 ALOGPS logs -8.11 ALOGPS logp 18.28 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(hexadecanoyloxy)-3-(pentadecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate ChemAxon average_mass 815.318 ChemAxon mono_mass 814.705040747 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C52H94O6 ChemAxon inchi InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h16,19,25-26,30,33,49H,4-15,17-18,20-24,27-29,31-32,34-48H2,1-3H3/b19-16-,26-25-,33-30-/t49-/m0/s1 ChemAxon inchikey FCGGXXYTFXCYOY-RHHOBUGWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 249.24 ChemAxon polarizability 106.89 ChemAxon rotatable_bond_count 48 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 608740 Specdb::MsMs 608741 Specdb::MsMs 608742 Specdb::MsMs 940069 Specdb::MsMs 940070 Specdb::MsMs 940071 Specdb::MsMs 2403809 Specdb::MsMs 2403810 Specdb::MsMs 2403811 Specdb::MsMs 2458819 Specdb::MsMs 2458820 Specdb::MsMs 2458821 Specdb::MsMs 2476790 Specdb::MsMs 2476791 Specdb::MsMs 2476792 Specdb::MsMs 2940743 Specdb::MsMs 2940744 Specdb::MsMs 2940745 Specdb::MsMs 2955402 Specdb::MsMs 2955403 Specdb::MsMs 2955404 131754167 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme