1.0 2020-03-25 18:34:20 UTC 2020-04-22 19:11:05 UTC BMDB0098488 TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0) 1-Pentadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-docosanoyl-glycerol 1-Pentadecanoyl-2-docosahexaenoyl-3-behenoyl-glycerol TAG(15:0/22:6/22:0) TAG(59:6) TG(15:0/22:6/22:0) TG(59:6) Tracylglycerol(15:0/22:6/22:0) Tracylglycerol(59:6) Triacylglycerol Triglyceride TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0) C62H108O6 949.54 948.814591198 (2S)-1-(docosanoyloxy)-3-(pentadecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-1-(docosanoyloxy)-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)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,34,38,41,47,50,59H,4-7,9-10,12-16,18-19,21-25,27,29-31,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b11-8-,20-17-,28-26-,34-32-,41-38-,50-47-/t59-/m0/s1 XWPBJDNJFYJXPR-LHLHTKRRSA-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 10.93 ALOGPS logs -8.20 ALOGPS logp 21.64 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(docosanoyloxy)-3-(pentadecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 949.54 ChemAxon mono_mass 948.814591198 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C62H108O6 ChemAxon inchi InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,32,34,38,41,47,50,59H,4-7,9-10,12-16,18-19,21-25,27,29-31,33,35-37,39-40,42-46,48-49,51-58H2,1-3H3/b11-8-,20-17-,28-26-,34-32-,41-38-,50-47-/t59-/m0/s1 ChemAxon inchikey XWPBJDNJFYJXPR-LHLHTKRRSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 298.6 ChemAxon polarizability 124 ChemAxon rotatable_bond_count 55 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 238742 Specdb::MsMs 569521 Specdb::MsMs 569522 Specdb::MsMs 569523 Specdb::MsMs 924280 Specdb::MsMs 924281 Specdb::MsMs 924282 Specdb::MsMs 2349323 Specdb::MsMs 2349324 Specdb::MsMs 2349325 Specdb::MsMs 2357988 Specdb::MsMs 2357989 Specdb::MsMs 2357990 Specdb::MsMs 2994140 Specdb::MsMs 2994141 Specdb::MsMs 2994142 Specdb::MsMs 3045343 Specdb::MsMs 3045344 Specdb::MsMs 3045345 Specdb::MsMs 3094807 Specdb::MsMs 3094808 Specdb::MsMs 3094809 131754894