1.0 2020-03-26 04:47:45 UTC 2020-04-22 19:40:56 UTC BMDB0103208 TG(18:1(11Z)/20:0/20:3n6) 1-(11Z-Octadecenoyl)-2-eicosanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol 1-Vaccenoyl-2-arachidonyl-3-homo-g-linolenoyl-glycerol TAG(18:1/20:0/20:3) TAG(18:1/20:0/20:3n6) TAG(18:1/20:0/20:3W6) TAG(58:4) TG(18:1/20:0/20:3) TG(18:1/20:0/20:3n6) TG(18:1/20:0/20:3W6) TG(58:4) Tracylglycerol(18:1/20:0/20:3) Tracylglycerol(18:1/20:0/20:3n6) Tracylglycerol(18:1/20:0/20:3W6) Tracylglycerol(58:4) Triacylglycerol Triglyceride 1-cis-Vaccenoyl-2-arachidoyl-3-dihomo-gamma-linolenoyl-glycerol TG(18:1n7/20:0/20:3n6) TG(18:1W7/20:0/20:3W6) Tag(18:1(11Z)/20:0/20:3(8Z,11Z,14Z)) Tag(18:1n7/20:0/20:3n6) Tag(18:1W7/20:0/20:3W6) Triacylglycerol(18:1(11Z)/20:0/20:3(8Z,11Z,14Z)) Triacylglycerol(18:1/20:0/20:3) Triacylglycerol(18:1n7/20:0/20:3n6) Triacylglycerol(18:1W7/20:0/20:3W6) Triacylglycerol(58:4) TG(18:1(11Z)/20:0/20:3(8Z,11Z,14Z)) TG(18:1(11Z)/20:0/20:3n6) C61H110O6 939.545 938.830241262 (2S)-2-(icosanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate (2S)-2-(icosanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C61H110O6/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/h16,19,21,24-25,28,33,36,58H,4-15,17-18,20,22-23,26-27,29-32,34-35,37-57H2,1-3H3/b19-16-,24-21-,28-25-,36-33-/t58-/m0/s1 HYPRJUDAMZSDSL-YQEKJALISA-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 10.81 ALOGPS logs -8.21 ALOGPS logp 21.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(icosanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate ChemAxon average_mass 939.545 ChemAxon mono_mass 938.830241262 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C61H110O6 ChemAxon inchi InChI=1S/C61H110O6/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/h16,19,21,24-25,28,33,36,58H,4-15,17-18,20,22-23,26-27,29-32,34-35,37-57H2,1-3H3/b19-16-,24-21-,28-25-,36-33-/t58-/m0/s1 ChemAxon inchikey HYPRJUDAMZSDSL-YQEKJALISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.77 ChemAxon polarizability 124.6 ChemAxon rotatable_bond_count 56 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 562510 Specdb::MsMs 562511 Specdb::MsMs 562512 Specdb::MsMs 921424 Specdb::MsMs 921425 Specdb::MsMs 921426 Specdb::MsMs 2324881 Specdb::MsMs 2324882 Specdb::MsMs 2324883 Specdb::MsMs 2961315 Specdb::MsMs 2961316 Specdb::MsMs 2961317 Specdb::MsMs 3041701 Specdb::MsMs 3041702 Specdb::MsMs 3041703 Specdb::MsMs 3057655 Specdb::MsMs 3057656 Specdb::MsMs 3057657 Specdb::MsMs 3112220 Specdb::MsMs 3112221 Specdb::MsMs 3112222 131759966