1.0 2020-03-26 10:46:21 UTC 2020-04-22 20:09:26 UTC BMDB0107691 TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Homo-g-linolenoyl-2-docosapentaenoyl-3-stearidonoyl-glycerol TAG(20:3/22:5/18:4) TAG(20:3n6/22:5/18:4) TAG(20:3W6/22:5/18:4) TAG(60:12) TG(20:3/22:5/18:4) TG(20:3n6/22:5/18:4) TG(20:3W6/22:5/18:4) TG(60:12) Tracylglycerol(20:3/22:5/18:4) Tracylglycerol(20:3n6/22:5/18:4) Tracylglycerol(20:3W6/22:5/18:4) Tracylglycerol(60:12) Triacylglycerol Triglyceride 1-Dihomo-gamma-linolenoyl-2-clupanodonoyl-3-stearidonoyl-glycerol TG(20:3n6/22:5n3/18:4n3) TG(20:3W6/22:5W3/18:4W3) Tag(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) Tag(20:3n6/22:5n3/18:4n3) Tag(20:3W6/22:5W3/18:4W3) Triacylglycerol(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) Triacylglycerol(20:3/22:5/18:4) Triacylglycerol(20:3n6/22:5n3/18:4n3) Triacylglycerol(20:3W6/22:5W3/18:4W3) Triacylglycerol(60:12) TG(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C63H98O6 951.471 950.736340876 (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,38-40,42-43,60H,4-6,8,11,13-15,22-24,30,32,36-37,41,44-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-/t60-/m1/s1 YWXNHHYOTVKDCZ-VCOCYQLGSA-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 9.64 ALOGPS logs -8.09 ALOGPS logp 19.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 951.471 ChemAxon mono_mass 950.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C63H98O6 ChemAxon inchi InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,38-40,42-43,60H,4-6,8,11,13-15,22-24,30,32,36-37,41,44-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,43-40-/t60-/m1/s1 ChemAxon inchikey YWXNHHYOTVKDCZ-VCOCYQLGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 309.9 ChemAxon polarizability 118.92 ChemAxon rotatable_bond_count 50 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 629137 Specdb::MsMs 629138 Specdb::MsMs 629139 Specdb::MsMs 948289 Specdb::MsMs 948290 Specdb::MsMs 948291 Specdb::MsMs 2313581 Specdb::MsMs 2313582 Specdb::MsMs 2313583 Specdb::MsMs 2347454 Specdb::MsMs 2347455 Specdb::MsMs 2347456 Specdb::MsMs 2552117 Specdb::MsMs 2552118 Specdb::MsMs 2552119 Specdb::MsMs 2592142 Specdb::MsMs 2592143 Specdb::MsMs 2592144 Specdb::MsMs 2765003 Specdb::MsMs 2765004 Specdb::MsMs 2765005 131764610