1.0 2020-03-26 12:21:37 UTC 2020-04-22 20:17:09 UTC BMDB0108908 TG(18:3(9Z,12Z,15Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(9Z,12Z,15Z-Octadeatrienoyl)-2-(11-eicosenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-a-Linolenoyl-2-eicosenoyl-3-docosahexaenoyl-glycerol TAG(18:3/20:1/22:6) TAG(60:10) TG(18:3/20:1/22:6) TG(60:10) Tracylglycerol(18:3/20:1/22:6) Tracylglycerol(60:10) Triacylglycerol Triglyceride TG(18:3(9Z,12Z,15Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H102O6 955.503 954.767641004 (2S)-2-[(11Z)-icos-11-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-2-[(11Z)-icos-11-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,41,47,50,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1 ZOXUQQAZDPHQME-XHQZZLEISA-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 10.37 ALOGPS logs -8.27 ALOGPS logp 20.64 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(11Z)-icos-11-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 955.503 ChemAxon mono_mass 954.767641004 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C63H102O6 ChemAxon inchi InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-29,31,33-34,38,41,47,50,60H,4-6,8,11,13-15,17,20,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1 ChemAxon inchikey ZOXUQQAZDPHQME-XHQZZLEISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 307.67 ChemAxon polarizability 120.71 ChemAxon rotatable_bond_count 52 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 219150 Specdb::MsMs 679465 Specdb::MsMs 679466 Specdb::MsMs 679467 Specdb::MsMs 968389 Specdb::MsMs 968390 Specdb::MsMs 968391 Specdb::MsMs 2447235 Specdb::MsMs 2447236 Specdb::MsMs 2447237 Specdb::MsMs 2525466 Specdb::MsMs 2525467 Specdb::MsMs 2525468 Specdb::MsMs 2762263 Specdb::MsMs 2762264 Specdb::MsMs 2762265 Specdb::MsMs 2870192 Specdb::MsMs 2870193 Specdb::MsMs 2870194 Specdb::MsMs 2946249 Specdb::MsMs 2946250 Specdb::MsMs 2946251 131765763