1.0 2020-03-26 06:25:37 UTC 2020-04-22 19:48:24 UTC BMDB0104389 TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3n6) 1-(11-Eicosenoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol 1-Eicosenoyl-2-meadoyl-3-homo-g-linolenoyl-glycerol TAG(20:1/20:3/20:3) TAG(20:1/20:3/20:3n6) TAG(20:1/20:3/20:3W6) TAG(60:7) TG(20:1/20:3/20:3) TG(20:1/20:3/20:3n6) TG(20:1/20:3/20:3W6) TG(60:7) Tracylglycerol(20:1/20:3/20:3) Tracylglycerol(20:1/20:3/20:3n6) Tracylglycerol(20:1/20:3/20:3W6) Tracylglycerol(60:7) Triacylglycerol Triglyceride 1-Eicosenoyl-2-meadoyl-3-dihomo-gamma-linolenoyl-glycerol TG(20:1n9/20:3n9/20:3n6) TG(20:1W9/20:3W9/20:3W6) Tag(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) Tag(20:1n9/20:3n9/20:3n6) Tag(20:1W9/20:3W9/20:3W6) Triacylglycerol(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) Triacylglycerol(20:1/20:3/20:3) Triacylglycerol(20:1n9/20:3n9/20:3n6) Triacylglycerol(20:1W9/20:3W9/20:3W6) Triacylglycerol(60:7) TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3n6) C63H108O6 961.551 960.814591198 (2S)-1-[(11Z)-icos-11-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2S)-1-[(11Z)-icos-11-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,36-37,39,45,48,60H,4-15,17-18,20-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1 HGEMIPVNLLSWGB-MYFDCNEZSA-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 10.83 ALOGPS logs -8.09 ALOGPS logp 21.73 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(11Z)-icos-11-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 961.551 ChemAxon mono_mass 960.814591198 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C63H108O6 ChemAxon inchi InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,36-37,39,45,48,60H,4-15,17-18,20-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1 ChemAxon inchikey HGEMIPVNLLSWGB-MYFDCNEZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 304.32 ChemAxon polarizability 126.24 ChemAxon rotatable_bond_count 55 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 626125 Specdb::MsMs 626126 Specdb::MsMs 626127 Specdb::MsMs 947113 Specdb::MsMs 947114 Specdb::MsMs 947115 Specdb::MsMs 2310662 Specdb::MsMs 2310663 Specdb::MsMs 2310664 Specdb::MsMs 2525871 Specdb::MsMs 2525872 Specdb::MsMs 2525873 Specdb::MsMs 2570177 Specdb::MsMs 2570178 Specdb::MsMs 2570179 Specdb::MsMs 2651144 Specdb::MsMs 2651145 Specdb::MsMs 2651146 Specdb::MsMs 2784499 Specdb::MsMs 2784500 Specdb::MsMs 2784501 131761277