1.0 2020-03-25 18:25:33 UTC 2020-04-22 19:10:25 UTC BMDB0098382 TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) 1-Pentadecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol 1-Pentadecanoyl-2-stearidonoyl-3-meadoyl-glycerol TAG(15:0/18:4/20:3) TAG(53:7) TG(15:0/18:4/20:3) TG(53:7) Tracylglycerol(15:0/18:4/20:3) Tracylglycerol(53:7) Triacylglycerol Triglyceride TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) C56H94O6 863.362 862.705040747 (2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-31,35,37-38,40,53H,4-7,9-10,12-16,18-19,21-24,28,32-34,36,39,41-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,31-30-,38-35-,40-37-/t53-/m0/s1 YZAHFZSSLHYPQA-FFTUPSPVSA-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 10.55 ALOGPS logs -8.20 ALOGPS logp 18.61 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 863.362 ChemAxon mono_mass 862.705040747 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C56H94O6 ChemAxon inchi InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29-31,35,37-38,40,53H,4-7,9-10,12-16,18-19,21-24,28,32-34,36,39,41-52H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,31-30-,38-35-,40-37-/t53-/m0/s1 ChemAxon inchikey YZAHFZSSLHYPQA-FFTUPSPVSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 272.11 ChemAxon polarizability 111.44 ChemAxon rotatable_bond_count 48 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::CMs 232516 Specdb::MsMs 655798 Specdb::MsMs 655799 Specdb::MsMs 655800 Specdb::MsMs 958894 Specdb::MsMs 958895 Specdb::MsMs 958896 Specdb::MsMs 2598760 Specdb::MsMs 2598761 Specdb::MsMs 2598762 Specdb::MsMs 2705471 Specdb::MsMs 2705472 Specdb::MsMs 2705473 Specdb::MsMs 2808398 Specdb::MsMs 2808399 Specdb::MsMs 2808400 Specdb::MsMs 2899947 Specdb::MsMs 2899948 Specdb::MsMs 2899949 Specdb::MsMs 2966103 Specdb::MsMs 2966104 Specdb::MsMs 2966105 131754787