1.0 2020-03-25 17:50:53 UTC 2020-04-22 19:07:47 UTC BMDB0097966 TG(15:0/24:0/22:2(13Z,16Z)) 1-Pentadecanoyl-2-lignoceroyl-3-docosadienoyl-glycerol 1-Pentadecanoyl-2-tetracosanoyl-3-(13Z,16Z-docosadienoyl)-glycerol TAG(15:0/24:0/22:2) TAG(61:2) TG(15:0/24:0/22:2) TG(61:2) Tracylglycerol(15:0/24:0/22:2) Tracylglycerol(61:2) Triacylglycerol Triglyceride TG(15:0/24:0/22:2(13Z,16Z)) C64H120O6 985.658 984.908491584 (2S)-1-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-(pentadecanoyloxy)propan-2-yl tetracosanoate (2S)-1-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-(pentadecanoyloxy)propan-2-yl tetracosanoate [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,61H,4-16,18-19,21-25,27,29-60H2,1-3H3/b20-17-,28-26-/t61-/m0/s1 MTFMYSXGKYCHFX-KMGTXCEMSA-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 10.75 ALOGPS logs -8.07 ALOGPS logp 23.98 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-(pentadecanoyloxy)propan-2-yl tetracosanoate ChemAxon average_mass 985.658 ChemAxon mono_mass 984.908491584 ChemAxon smiles [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C64H120O6 ChemAxon inchi InChI=1S/C64H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,61H,4-16,18-19,21-25,27,29-60H2,1-3H3/b20-17-,28-26-/t61-/m0/s1 ChemAxon inchikey MTFMYSXGKYCHFX-KMGTXCEMSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 303.34 ChemAxon polarizability 133.16 ChemAxon rotatable_bond_count 61 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 575797 Specdb::MsMs 575798 Specdb::MsMs 575799 Specdb::MsMs 926815 Specdb::MsMs 926816 Specdb::MsMs 926817 Specdb::MsMs 2304783 Specdb::MsMs 2304784 Specdb::MsMs 2304785 Specdb::MsMs 2354733 Specdb::MsMs 2354734 Specdb::MsMs 2354735 Specdb::MsMs 2373084 Specdb::MsMs 2373085 Specdb::MsMs 2373086 Specdb::MsMs 2565695 Specdb::MsMs 2565696 Specdb::MsMs 2565697 Specdb::MsMs 2999509 Specdb::MsMs 2999510 Specdb::MsMs 2999511 131754281