1.0 2020-03-26 12:28:07 UTC 2020-04-22 20:17:40 UTC BMDB0108990 TG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) 1-(9Z,12Z,15Z-Octadeatrienoyl)-2-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-a-Linolenoyl-2-eicsoatetraenoyl-3-eicsoatetraenoyl-glycerol TAG(18:3/20:4/20:4) TAG(58:11) TG(18:3/20:4/20:4) TG(58:11) Tracylglycerol(18:3/20:4/20:4) Tracylglycerol(58:11) Triacylglycerol Triglyceride TG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C61H96O6 925.433 924.720690811 (2S)-1-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (2S)-1-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-34,36-37,58H,4-6,13-15,22-24,30-31,35,38-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-/t58-/m0/s1 ULMDLWOZXLWNSK-COGRUCQWSA-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 9.74 ALOGPS logs -8.15 ALOGPS logp 19.39 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate ChemAxon average_mass 925.433 ChemAxon mono_mass 924.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C61H96O6 ChemAxon inchi InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-34,36-37,58H,4-6,13-15,22-24,30-31,35,38-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-/t58-/m0/s1 ChemAxon inchikey ULMDLWOZXLWNSK-COGRUCQWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 299.58 ChemAxon polarizability 115.65 ChemAxon rotatable_bond_count 49 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 585946 Specdb::MsMs 585947 Specdb::MsMs 585948 Specdb::MsMs 930856 Specdb::MsMs 930857 Specdb::MsMs 930858 Specdb::MsMs 2272833 Specdb::MsMs 2272834 Specdb::MsMs 2272835 Specdb::MsMs 2435698 Specdb::MsMs 2435699 Specdb::MsMs 2435700 Specdb::MsMs 2865087 Specdb::MsMs 2865088 Specdb::MsMs 2865089 Specdb::MsMs 3068680 Specdb::MsMs 3068681 Specdb::MsMs 3068682 Specdb::MsMs 3090175 Specdb::MsMs 3090176 Specdb::MsMs 3090177 131765846