1.0 2020-03-26 10:03:50 UTC 2020-04-22 20:05:59 UTC BMDB0107145 TG(20:2n6/22:1(13Z)/22:4(7Z,10Z,13Z,16Z)) 1-(11Z,14Z-Eicosadienoyl)-2-(13Z-docosenoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol 1-Eicosadienoyl-2-erucoyl-3-adrenoyl-glycerol TAG(20:2/22:1/22:4) TAG(20:2n6/22:1/22:4) TAG(20:2W6/22:1/22:4) TAG(64:7) TG(20:2/22:1/22:4) TG(20:2n6/22:1/22:4) TG(20:2W6/22:1/22:4) TG(64:7) Tracylglycerol(20:2/22:1/22:4) Tracylglycerol(20:2n6/22:1/22:4) Tracylglycerol(20:2W6/22:1/22:4) Tracylglycerol(64:7) Triacylglycerol Triglyceride TG(20:2n6/22:1n9/22:4n6) TG(20:2W6/22:1W9/22:4W6) Tag(20:2(11Z,14Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z)) Tag(20:2n6/22:1n9/22:4n6) Tag(20:2W6/22:1W9/22:4W6) Triacylglycerol(20:2(11Z,14Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z)) Triacylglycerol(20:2/22:1/22:4) Triacylglycerol(20:2n6/22:1n9/22:4n6) Triacylglycerol(20:2W6/22:1W9/22:4W6) Triacylglycerol(64:7) TG(20:2(11Z,14Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z)) TG(20:2n6/22:1(13Z)/22:4(7Z,10Z,13Z,16Z)) C67H116O6 1017.659 1016.877191455 (2S)-2-[(13Z)-docos-13-enoyloxy]-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2S)-2-[(13Z)-docos-13-enoyloxy]-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,42,45,64H,4-15,17,20,22-24,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,45-42-/t64-/m0/s1 GBWGRZMPXONPMA-AJEHLCFZSA-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 10.86 ALOGPS logs -8.13 ALOGPS logp 23.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(13Z)-docos-13-enoyloxy]-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 1017.659 ChemAxon mono_mass 1016.877191455 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C67H116O6 ChemAxon inchi InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,33,36,42,45,64H,4-15,17,20,22-24,31-32,34-35,37-41,43-44,46-63H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,36-33-,45-42-/t64-/m0/s1 ChemAxon inchikey GBWGRZMPXONPMA-AJEHLCFZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 322.72 ChemAxon polarizability 134.13 ChemAxon rotatable_bond_count 59 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 203678 Specdb::MsMs 635254 Specdb::MsMs 635255 Specdb::MsMs 635256 Specdb::MsMs 2382614 Specdb::MsMs 2382615 Specdb::MsMs 2382616 Specdb::MsMs 2448728 Specdb::MsMs 2448729 Specdb::MsMs 2448730 Specdb::MsMs 2474660 Specdb::MsMs 2474661 Specdb::MsMs 2474662 Specdb::MsMs 2580114 Specdb::MsMs 2580115 Specdb::MsMs 2580116 Specdb::MsMs 2878145 Specdb::MsMs 2878146 Specdb::MsMs 2878147 131764083