1.0 2020-03-25 18:01:48 UTC 2020-04-22 19:08:38 UTC BMDB0098100 TG(15:0/20:3(5Z,8Z,11Z)/20:3n6) 1-Pentadecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol 1-Pentadecanoyl-2-meadoyl-3-homo-g-linolenoyl-glycerol TAG(15:0/20:3/20:3) TAG(15:0/20:3/20:3n6) TAG(15:0/20:3/20:3W6) TAG(55:6) TG(15:0/20:3/20:3) TG(15:0/20:3/20:3n6) TG(15:0/20:3/20:3W6) TG(55:6) Tracylglycerol(15:0/20:3/20:3) Tracylglycerol(15:0/20:3/20:3n6) Tracylglycerol(15:0/20:3/20:3W6) Tracylglycerol(55:6) Triacylglycerol Triglyceride 1-Pentadecanoyl-2-meadoyl-3-dihomo-gamma-linolenoyl-glycerol TG(15:0/20:3n9/20:3n6) TG(15:0/20:3W9/20:3W6) Tag(15:0/20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) Tag(15:0/20:3n9/20:3n6) Tag(15:0/20:3W9/20:3W6) Triacylglycerol(15:0/20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) Triacylglycerol(15:0/20:3/20:3) Triacylglycerol(15:0/20:3n9/20:3n6) Triacylglycerol(15:0/20:3W9/20:3W6) Triacylglycerol(55:6) TG(15:0/20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) TG(15:0/20:3(5Z,8Z,11Z)/20:3n6) C58H100O6 893.432 892.75199094 (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(pentadecanoyloxy)propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(pentadecanoyloxy)propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-34,40,43,55H,4-15,17-18,20-24,29-30,35-39,41-42,44-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,34-32-,43-40-/t55-/m0/s1 UBLCUNUZYSIBIL-OIIAUPSDSA-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 10.76 ALOGPS logs -8.04 ALOGPS logp 19.86 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(pentadecanoyloxy)propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 893.432 ChemAxon mono_mass 892.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C58H100O6 ChemAxon inchi InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,31-34,40,43,55H,4-15,17-18,20-24,29-30,35-39,41-42,44-54H2,1-3H3/b19-16-,27-25-,28-26-,33-31-,34-32-,43-40-/t55-/m0/s1 ChemAxon inchikey UBLCUNUZYSIBIL-OIIAUPSDSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 280.2 ChemAxon polarizability 115.87 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 611053 Specdb::MsMs 611054 Specdb::MsMs 611055 Specdb::MsMs 940996 Specdb::MsMs 940997 Specdb::MsMs 940998 Specdb::MsMs 2620802 Specdb::MsMs 2620803 Specdb::MsMs 2620804 Specdb::MsMs 2664577 Specdb::MsMs 2664578 Specdb::MsMs 2664579 Specdb::MsMs 2704340 Specdb::MsMs 2704341 Specdb::MsMs 2704342 Specdb::MsMs 3003810 Specdb::MsMs 3003811 Specdb::MsMs 3003812 Specdb::MsMs 3070179 Specdb::MsMs 3070180 Specdb::MsMs 3070181 131754447