1.0 2020-03-26 07:35:44 UTC 2020-04-22 19:53:38 UTC BMDB0105208 TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(15Z-tetracosanoyl)-glycerol 1-Meadoyl-2-docosahexaenoyl-3-nervonoyl-glycerol TAG(20:3/22:6/24:1) TAG(66:10) TG(20:3/22:6/24:1) TG(66:10) Tracylglycerol(20:3/22:6/24:1) Tracylglycerol(66:10) Triacylglycerol Triglyceride TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) C69H114O6 1039.665 1038.861541391 (2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (15Z)-tetracos-15-enoate (2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (15Z)-tetracos-15-enoate [H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,39-40,43,45,48-49,52,54,57,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-/t66-/m0/s1 ZSFOTECYFWKPEL-WEHQVYMJSA-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 10.76 ALOGPS logs -8.32 ALOGPS logp 23.31 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 1039.665 ChemAxon mono_mass 1038.861541391 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C69H114O6 ChemAxon inchi InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-30,35,39-40,43,45,48-49,52,54,57,66H,4-7,9-10,12-16,18-19,21-24,31-34,36-38,41-42,44,46-47,50-51,53,55-56,58-65H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,30-27-,39-35-,43-40-,48-45-,52-49-,57-54-/t66-/m0/s1 ChemAxon inchikey ZSFOTECYFWKPEL-WEHQVYMJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 335.27 ChemAxon polarizability 134.48 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 596701 Specdb::MsMs 596702 Specdb::MsMs 596703 Specdb::MsMs 935230 Specdb::MsMs 935231 Specdb::MsMs 935232 Specdb::MsMs 2292480 Specdb::MsMs 2292481 Specdb::MsMs 2292482 Specdb::MsMs 2473655 Specdb::MsMs 2473656 Specdb::MsMs 2473657 Specdb::MsMs 2489538 Specdb::MsMs 2489539 Specdb::MsMs 2489540 Specdb::MsMs 2679286 Specdb::MsMs 2679287 Specdb::MsMs 2679288 Specdb::MsMs 3091574 Specdb::MsMs 3091575 Specdb::MsMs 3091576 131762106