1.0 2020-03-26 05:51:27 UTC 2020-04-22 19:45:48 UTC BMDB0103975 TG(18:1(9Z)/20:3n6/18:3(9Z,12Z,15Z)) 1-(9Z-Octadecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-Oleoyl-2-homo-g-linolenoyl-3-a-linolenoyl-glycerol TAG(18:1/20:3/18:3) TAG(18:1/20:3n6/18:3) TAG(18:1/20:3W6/18:3) TAG(56:7) TG(18:1/20:3/18:3) TG(18:1/20:3n6/18:3) TG(18:1/20:3W6/18:3) TG(56:7) Tracylglycerol(18:1/20:3/18:3) Tracylglycerol(18:1/20:3n6/18:3) Tracylglycerol(18:1/20:3W6/18:3) Tracylglycerol(56:7) Triacylglycerol Triglyceride 1-Oleoyl-2-dihomo-gamma-linolenoyl-3-alpha-linolenoyl-glycerol TG(18:1n9/20:3n6/18:3n3) TG(18:1W9/20:3W6/18:3W3) Tag(18:1(9Z)/20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) Tag(18:1n9/20:3n6/18:3n3) Tag(18:1W9/20:3W6/18:3W3) Triacylglycerol(18:1(9Z)/20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) Triacylglycerol(18:1/20:3/18:3) Triacylglycerol(18:1n9/20:3n6/18:3n3) Triacylglycerol(18:1W9/20:3W6/18:3W3) Triacylglycerol(56:7) TG(18:1(9Z)/20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) TG(18:1(9Z)/20:3n6/18:3(9Z,12Z,15Z)) C59H100O6 905.443 904.75199094 (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,30-32,35,56H,4-7,9-10,12-15,18,21-24,29,33-34,36-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-/t56-/m1/s1 QRJFFNYUXOPRKR-XHYJQSOKSA-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 10.64 ALOGPS logs -8.18 ALOGPS logp 19.95 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate ChemAxon average_mass 905.443 ChemAxon mono_mass 904.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C59H100O6 ChemAxon inchi InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,30-32,35,56H,4-7,9-10,12-15,18,21-24,29,33-34,36-55H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,31-27-,35-32-/t56-/m1/s1 ChemAxon inchikey QRJFFNYUXOPRKR-XHYJQSOKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 285.91 ChemAxon polarizability 117.39 ChemAxon rotatable_bond_count 51 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 654004 Specdb::MsMs 654005 Specdb::MsMs 654006 Specdb::MsMs 958204 Specdb::MsMs 958205 Specdb::MsMs 958206 Specdb::MsMs 2295516 Specdb::MsMs 2295517 Specdb::MsMs 2295518 Specdb::MsMs 2468015 Specdb::MsMs 2468016 Specdb::MsMs 2468017 Specdb::MsMs 2826385 Specdb::MsMs 2826386 Specdb::MsMs 2826387 Specdb::MsMs 2855803 Specdb::MsMs 2855804 Specdb::MsMs 2855805 Specdb::MsMs 2889079 Specdb::MsMs 2889080 Specdb::MsMs 2889081 131760830