1.0 2020-03-25 18:26:22 UTC 2020-04-22 19:10:29 UTC BMDB0098392 TG(15:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) 1-Pentadecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Pentadecanoyl-2-stearidonoyl-3-stearidonoyl-glycerol TAG(15:0/18:4/18:4) TAG(51:8) TG(15:0/18:4/18:4) TG(51:8) Tracylglycerol(15:0/18:4/18:4) Tracylglycerol(51:8) Triacylglycerol Triglyceride TG(15:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) C54H88O6 833.292 832.658090554 (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(pentadecanoyloxy)propan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(pentadecanoyloxy)propan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C54H88O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,32-33,35-36,51H,4-6,9,12-15,18,21-24,29-31,34,37-50H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,35-32-,36-33-/t51-/m0/s1 RATNSBOIJOOATM-HEWFOHBUSA-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 Lineolic acids and 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 Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.04 ALOGPS logs -8.24 ALOGPS logp 17.36 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(pentadecanoyloxy)propan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 833.292 ChemAxon mono_mass 832.658090554 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C54H88O6 ChemAxon inchi InChI=1S/C54H88O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,32-33,35-36,51H,4-6,9,12-15,18,21-24,29-31,34,37-50H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,35-32-,36-33-/t51-/m0/s1 ChemAxon inchikey RATNSBOIJOOATM-HEWFOHBUSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 264.03 ChemAxon polarizability 104.59 ChemAxon rotatable_bond_count 45 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 245498 Specdb::MsMs 563353 Specdb::MsMs 563354 Specdb::MsMs 563355 Specdb::MsMs 2570186 Specdb::MsMs 2570187 Specdb::MsMs 2570188 Specdb::MsMs 2680806 Specdb::MsMs 2680807 Specdb::MsMs 2680808 Specdb::MsMs 2784403 Specdb::MsMs 2784404 Specdb::MsMs 2784405 Specdb::MsMs 2821575 Specdb::MsMs 2821576 Specdb::MsMs 2821577 Specdb::MsMs 3027447 Specdb::MsMs 3027448 Specdb::MsMs 3027449 131754799