1.0 2020-03-25 18:34:10 UTC 2020-04-22 19:11:04 UTC BMDB0098486 TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) 1-Pentadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-octadecanoyl-glycerol 1-Pentadecanoyl-2-docosahexaenoyl-3-stearoyl-glycerol TAG(15:0/22:6/18:0) TAG(55:6) TG(15:0/22:6/18:0) TG(55:6) Tracylglycerol(15:0/22:6/18:0) Tracylglycerol(55:6) Triacylglycerol Triglyceride TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) C58H100O6 893.432 892.75199094 (2S)-1-(octadecanoyloxy)-3-(pentadecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-1-(octadecanoyloxy)-3-(pentadecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,34,37,43,46,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-34-,46-43-/t55-/m0/s1 KYSKDXQQCFAYJB-MYEHQPJESA-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 10.82 ALOGPS logs -8.04 ALOGPS logp 19.86 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(octadecanoyloxy)-3-(pentadecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 893.432 ChemAxon mono_mass 892.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C58H100O6 ChemAxon inchi InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,34,37,43,46,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-33,35-36,38-42,44-45,47-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,37-34-,46-43-/t55-/m0/s1 ChemAxon inchikey KYSKDXQQCFAYJB-MYEHQPJESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 280.2 ChemAxon polarizability 115.36 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::CMs 211473 Specdb::MsMs 674422 Specdb::MsMs 674423 Specdb::MsMs 674424 Specdb::MsMs 966304 Specdb::MsMs 966305 Specdb::MsMs 966306 Specdb::MsMs 2413684 Specdb::MsMs 2413685 Specdb::MsMs 2413686 Specdb::MsMs 2806571 Specdb::MsMs 2806572 Specdb::MsMs 2806573 Specdb::MsMs 2876183 Specdb::MsMs 2876184 Specdb::MsMs 2876185 Specdb::MsMs 2944470 Specdb::MsMs 2944471 Specdb::MsMs 2944472 Specdb::MsMs 3041884 Specdb::MsMs 3041885 Specdb::MsMs 3041886 131754892