1.0 2020-03-26 09:45:29 UTC 2020-04-22 20:04:25 UTC BMDB0106899 TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-g-Linolenoyl-2-stearidonoyl-3-eicosapentaenoyl-glycerol TAG(18:3/18:4/20:5) TAG(56:12) TG(18:3/18:4/20:5) TG(56:12) Tracylglycerol(18:3/18:4/20:5) Tracylglycerol(56:12) Triacylglycerol Triglyceride TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C59H90O6 895.363 894.673740618 (2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate [H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-28,30-32,34,36,38-41,43,56H,4-6,8,11,13-15,22-24,29,33,35,37,42,44-55H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-/t56-/m0/s1 LHWUMNDCBGZARS-CEXMLLROSA-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 9.24 ALOGPS logs -7.96 ALOGPS logp 18.14 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate ChemAxon average_mass 895.363 ChemAxon mono_mass 894.673740618 ChemAxon smiles [H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C59H90O6 ChemAxon inchi InChI=1S/C59H90O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-28,30-32,34,36,38-41,43,56H,4-6,8,11,13-15,22-24,29,33,35,37,42,44-55H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,39-36-,41-38-,43-40-/t56-/m0/s1 ChemAxon inchikey LHWUMNDCBGZARS-CEXMLLROSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.5 ChemAxon polarizability 109.45 ChemAxon rotatable_bond_count 46 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 192208 Specdb::MsMs 611275 Specdb::MsMs 611276 Specdb::MsMs 611277 Specdb::MsMs 2292993 Specdb::MsMs 2292994 Specdb::MsMs 2292995 Specdb::MsMs 2304990 Specdb::MsMs 2304991 Specdb::MsMs 2304992 Specdb::MsMs 2358072 Specdb::MsMs 2358073 Specdb::MsMs 2358074 Specdb::MsMs 2657191 Specdb::MsMs 2657192 Specdb::MsMs 2657193 Specdb::MsMs 2996117 Specdb::MsMs 2996118 Specdb::MsMs 2996119 131763841