1.0 2020-03-26 01:15:15 UTC 2020-04-22 19:27:53 UTC BMDB0101146 TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) 1-Behenoyl-2-docosahexaenoyl-3-myristoleoyl-glycerol 1-Docosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(9Z-tetradecenoyl)-glycerol TAG(22:0/22:6/14:1) TAG(58:7) TG(22:0/22:6/14:1) TG(58:7) Tracylglycerol(22:0/22:6/14:1) Tracylglycerol(58:7) Triacylglycerol Triglyceride TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) C61H104O6 933.497 932.783291069 (2S)-1-(docosanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-1-(docosanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,31,33,37,40,46,49,58H,4-7,9-10,12-14,16,19,21-24,26,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,33-31-,40-37-,49-46-/t58-/m1/s1 YVEGKSUYTKOVJJ-DHXAZOOGSA-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 10.84 ALOGPS logs -8.08 ALOGPS logp 20.84 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(docosanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 933.497 ChemAxon mono_mass 932.783291069 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C61H104O6 ChemAxon inchi InChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,31,33,37,40,46,49,58H,4-7,9-10,12-14,16,19,21-24,26,28-30,32,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,33-31-,40-37-,49-46-/t58-/m1/s1 ChemAxon inchikey YVEGKSUYTKOVJJ-DHXAZOOGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 295.12 ChemAxon polarizability 121.57 ChemAxon rotatable_bond_count 53 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 658315 Specdb::MsMs 658316 Specdb::MsMs 658317 Specdb::MsMs 959941 Specdb::MsMs 959942 Specdb::MsMs 959943 Specdb::MsMs 2299881 Specdb::MsMs 2299882 Specdb::MsMs 2299883 Specdb::MsMs 2710847 Specdb::MsMs 2710848 Specdb::MsMs 2710849 Specdb::MsMs 2754781 Specdb::MsMs 2754782 Specdb::MsMs 2754783 Specdb::MsMs 2995394 Specdb::MsMs 2995395 Specdb::MsMs 2995396 Specdb::MsMs 3043423 Specdb::MsMs 3043424 Specdb::MsMs 3043425 131757802