1.0 2020-03-26 05:48:18 UTC 2020-04-22 19:45:33 UTC BMDB0103937 TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) Triacylglycerol TG(56:8) TG(18:1/18:3/20:4) TAG(18:1/18:3/20:4) Triglyceride Tracylglycerol(56:8) TAG(56:8) 1-Oleoyl-2-g-linolenoyl-3-eicsoatetraenoyl-glycerol 1-(9Z-Octadecenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol Tracylglycerol(18:1/18:3/20:4) TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) C59H98O6 903.4058 902.736340868 3-[(9Z)-octadec-9-enoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate 3-[(9Z)-octadec-9-enoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C59H98O6/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/h7,10,16,18-19,21,25-28,30-32,34,38,41,56H,4-6,8-9,11-15,17,20,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38- FGKLLSHFMSWUQG-XQCLPJEKSA-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 10.47 ALOGPS logs -8.27 ALOGPS logp 19.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 3-[(9Z)-octadec-9-enoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate ChemAxon average_mass 903.4058 ChemAxon mono_mass 902.736340868 ChemAxon smiles CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C59H98O6 ChemAxon inchi InChI=1S/C59H98O6/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/h7,10,16,18-19,21,25-28,30-32,34,38,41,56H,4-6,8-9,11-15,17,20,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38- ChemAxon inchikey FGKLLSHFMSWUQG-XQCLPJEKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 287.03 ChemAxon polarizability 115.18 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 584455 Specdb::MsMs 584456 Specdb::MsMs 584457 Specdb::MsMs 2282203 Specdb::MsMs 2282204 Specdb::MsMs 2282205 Specdb::MsMs 2440957 Specdb::MsMs 2440958 Specdb::MsMs 2440959 Specdb::MsMs 2862352 Specdb::MsMs 2862353 Specdb::MsMs 2862354 Specdb::MsMs 2975144 Specdb::MsMs 2975145 Specdb::MsMs 2975146 Specdb::MsMs 3086167 Specdb::MsMs 3086168 Specdb::MsMs 3086169 131760792