1.0 2020-03-26 02:54:10 UTC 2020-04-22 19:32:49 UTC BMDB0101926 TG(14:1(9Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(9Z-Tetradecenoyl)-2-tetradecanoyl-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Myristoleoyl-2-myristoyl-3-docosahexaenoyl-glycerol TAG(14:1/14:0/22:6) TAG(50:7) TG(14:1/14:0/22:6) TG(50:7) Tracylglycerol(14:1/14:0/22:6) Tracylglycerol(50:7) Triacylglycerol Triglyceride TG(14:1(9Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C53H88O6 821.281 820.658090554 (2S)-3-[(9Z)-tetradec-9-enoyloxy]-2-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-3-[(9Z)-tetradec-9-enoyloxy]-2-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-24,26-27,29,32,37,40,50H,4-6,8-9,11-13,15,18,20-22,25,28,30-31,33-36,38-39,41-49H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-,32-29-,40-37-/t50-/m0/s1 IJNPHOYLBQCSJG-YXXJFYFNSA-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 10.27 ALOGPS logs -8.20 ALOGPS logp 17.28 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(9Z)-tetradec-9-enoyloxy]-2-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 821.281 ChemAxon mono_mass 820.658090554 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C53H88O6 ChemAxon inchi InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-24,26-27,29,32,37,40,50H,4-6,8-9,11-13,15,18,20-22,25,28,30-31,33-36,38-39,41-49H2,1-3H3/b10-7-,17-14-,19-16-,24-23-,27-26-,32-29-,40-37-/t50-/m0/s1 ChemAxon inchikey IJNPHOYLBQCSJG-YXXJFYFNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 258.31 ChemAxon polarizability 103.71 ChemAxon rotatable_bond_count 45 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 630298 Specdb::MsMs 630299 Specdb::MsMs 630300 Specdb::MsMs 948790 Specdb::MsMs 948791 Specdb::MsMs 948792 Specdb::MsMs 2277132 Specdb::MsMs 2277133 Specdb::MsMs 2277134 Specdb::MsMs 2350978 Specdb::MsMs 2350979 Specdb::MsMs 2350980 Specdb::MsMs 2588596 Specdb::MsMs 2588597 Specdb::MsMs 2588598 Specdb::MsMs 2638615 Specdb::MsMs 2638616 Specdb::MsMs 2638617 Specdb::MsMs 3022353 Specdb::MsMs 3022354 Specdb::MsMs 3022355 131758587