1.0 2020-03-26 10:34:25 UTC 2020-04-22 20:08:28 UTC BMDB0107539 TG(20:3n6/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(15Z-tetracosanoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Homo-g-linolenoyl-2-nervonoyl-3-docosahexaenoyl-glycerol TAG(20:3/24:1/22:6) TAG(20:3n6/24:1/22:6) TAG(20:3W6/24:1/22:6) TAG(66:10) TG(20:3/24:1/22:6) TG(20:3n6/24:1/22:6) TG(20:3W6/24:1/22:6) TG(66:10) Tracylglycerol(20:3/24:1/22:6) Tracylglycerol(20:3n6/24:1/22:6) Tracylglycerol(20:3W6/24:1/22:6) Tracylglycerol(66:10) Triacylglycerol Triglyceride 1-Dihomo-gamma-linolenoyl-2-nervonoyl-3-docosahexaenoyl-glycerol TG(20:3n6/24:1n9/22:6n3) TG(20:3W6/24:1W9/22:6W3) Tag(20:3(8Z,11Z,14Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Tag(20:3n6/24:1n9/22:6n3) Tag(20:3W6/24:1W9/22:6W3) Triacylglycerol(20:3(8Z,11Z,14Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Triacylglycerol(20:3/24:1/22:6) Triacylglycerol(20:3n6/24:1n9/22:6n3) Triacylglycerol(20:3W6/24:1W9/22:6W3) Triacylglycerol(66:10) TG(20:3(8Z,11Z,14Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) TG(20:3n6/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C69H114O6 1039.665 1038.861541391 (2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate (2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,40,43-44,47,53,56,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-/t66-/m0/s1 RSZTUMSHVIICMT-YHEQGXMCSA-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 10.73 ALOGPS logs -8.33 ALOGPS logp 23.31 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 1039.665 ChemAxon mono_mass 1038.861541391 ChemAxon smiles [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C69H114O6 ChemAxon inchi InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,35,38,40,43-44,47,53,56,66H,4-7,9-10,12-16,19,22-24,31-34,36-37,39,41-42,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,38-35-,43-40-,47-44-,56-53-/t66-/m0/s1 ChemAxon inchikey RSZTUMSHVIICMT-YHEQGXMCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 335.27 ChemAxon polarizability 133.29 ChemAxon rotatable_bond_count 58 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 570553 Specdb::MsMs 570554 Specdb::MsMs 570555 Specdb::MsMs 924679 Specdb::MsMs 924680 Specdb::MsMs 924681 Specdb::MsMs 2417230 Specdb::MsMs 2417231 Specdb::MsMs 2417232 Specdb::MsMs 2496290 Specdb::MsMs 2496291 Specdb::MsMs 2496292 Specdb::MsMs 2792978 Specdb::MsMs 2792979 Specdb::MsMs 2792980 Specdb::MsMs 2916305 Specdb::MsMs 2916306 Specdb::MsMs 2916307 Specdb::MsMs 2954034 Specdb::MsMs 2954035 Specdb::MsMs 2954036 131764467