1.0 2020-03-25 18:05:39 UTC 2020-04-22 19:08:56 UTC BMDB0098148 TG(15:0/24:1(15Z)/20:2n6) 1-Pentadecanoyl-2-(15Z-tetracosanoyl)-3-(11Z,14Z-eicosadienoyl)-glycerol 1-Pentadecanoyl-2-nervonoyl-3-eicosadienoyl-glycerol TAG(15:0/24:1/20:2) TAG(15:0/24:1/20:2n6) TAG(15:0/24:1/20:2W6) TAG(59:3) TG(15:0/24:1/20:2) TG(15:0/24:1/20:2n6) TG(15:0/24:1/20:2W6) TG(59:3) Tracylglycerol(15:0/24:1/20:2) Tracylglycerol(15:0/24:1/20:2n6) Tracylglycerol(15:0/24:1/20:2W6) Tracylglycerol(59:3) Triacylglycerol Triglyceride TG(15:0/24:1n9/20:2n6) TG(15:0/24:1W9/20:2W6) Tag(15:0/24:1(15Z)/20:2(11Z,14Z)) Tag(15:0/24:1n9/20:2n6) Tag(15:0/24:1W9/20:2W6) Triacylglycerol(15:0/24:1(15Z)/20:2(11Z,14Z)) Triacylglycerol(15:0/24:1/20:2) Triacylglycerol(15:0/24:1n9/20:2n6) Triacylglycerol(15:0/24:1W9/20:2W6) Triacylglycerol(59:3) TG(15:0/24:1(15Z)/20:2(11Z,14Z)) TG(15:0/24:1(15Z)/20:2n6) C62H114O6 955.588 954.861541391 (2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(pentadecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate (2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(pentadecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,59H,4-16,18-19,21-24,29-58H2,1-3H3/b20-17-,27-25-,28-26-/t59-/m0/s1 GBRKOHYRLBJDNR-HXOGXHPOSA-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 10.81 ALOGPS logs -8.18 ALOGPS logp 22.73 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(pentadecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 955.588 ChemAxon mono_mass 954.861541391 ChemAxon smiles [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC ChemAxon formula C62H114O6 ChemAxon inchi InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,59H,4-16,18-19,21-24,29-58H2,1-3H3/b20-17-,27-25-,28-26-/t59-/m0/s1 ChemAxon inchikey GBRKOHYRLBJDNR-HXOGXHPOSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 295.25 ChemAxon polarizability 126.86 ChemAxon rotatable_bond_count 58 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 587524 Specdb::MsMs 587525 Specdb::MsMs 587526 Specdb::MsMs 931549 Specdb::MsMs 931550 Specdb::MsMs 931551 Specdb::MsMs 2270656 Specdb::MsMs 2270657 Specdb::MsMs 2270658 Specdb::MsMs 2322826 Specdb::MsMs 2322827 Specdb::MsMs 2322828 Specdb::MsMs 3015666 Specdb::MsMs 3015667 Specdb::MsMs 3015668 Specdb::MsMs 3054443 Specdb::MsMs 3054444 Specdb::MsMs 3054445 Specdb::MsMs 3115833 Specdb::MsMs 3115834 Specdb::MsMs 3115835 131754504