1.0 2020-03-26 03:36:19 UTC 2020-04-22 19:36:06 UTC BMDB0102446 TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(9Z-Tetradecenoyl)-2-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Myristoleoyl-2-eicsoatetraenoyl-3-docosahexaenoyl-glycerol TAG(14:1/20:4/22:6) TAG(56:11) TG(14:1/20:4/22:6) TG(56:11) Tracylglycerol(14:1/20:4/22:6) Tracylglycerol(56:11) Triacylglycerol Triglyceride TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H92O6 897.379 896.689390682 (2S)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]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)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31,33-35,37,43,46,56H,4-6,9,12-14,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-/t56-/m0/s1 BJAMSMUIYHUDMP-GXLVWMGESA-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 9.56 ALOGPS logs -8.10 ALOGPS logp 18.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 897.379 ChemAxon mono_mass 896.689390682 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)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C59H92O6 ChemAxon inchi InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31,33-35,37,43,46,56H,4-6,9,12-14,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-/t56-/m0/s1 ChemAxon inchikey BJAMSMUIYHUDMP-GXLVWMGESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 290.38 ChemAxon polarizability 111 ChemAxon rotatable_bond_count 47 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 618025 Specdb::MsMs 618026 Specdb::MsMs 618027 Specdb::MsMs 943804 Specdb::MsMs 943805 Specdb::MsMs 943806 Specdb::MsMs 2285239 Specdb::MsMs 2285240 Specdb::MsMs 2285241 Specdb::MsMs 2302434 Specdb::MsMs 2302435 Specdb::MsMs 2302436 Specdb::MsMs 2439967 Specdb::MsMs 2439968 Specdb::MsMs 2439969 Specdb::MsMs 2523156 Specdb::MsMs 2523157 Specdb::MsMs 2523158 Specdb::MsMs 3054302 Specdb::MsMs 3054303 Specdb::MsMs 3054304 131759161