1.0 2020-03-26 12:30:58 UTC 2020-04-22 20:17:55 UTC BMDB0109028 TG(18:4(6Z,9Z,12Z,15Z)/15:0/18:4(6Z,9Z,12Z,15Z)) TAG(51:8) 1-Stearidonoyl-2-pentadecanoyl-3-stearidonoyl-glycerol Triacylglycerol Tracylglycerol(51:8) Triglyceride TG(18:4/15:0/18:4) Tracylglycerol(18:4/15:0/18:4) TG(51:8) 1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-2-pentadecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol TAG(18:4/15:0/18:4) TG(18:4(6Z,9Z,12Z,15Z)/15:0/18:4(6Z,9Z,12Z,15Z)) C54H88O6 833.2729 832.658090548 3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate 3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate [H]C(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C54H88O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,32-35,51H,4-6,9,12-15,18,21-24,29-31,36-50H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-32-,35-33- RRXNTJDSQHCIIT-GTEJDOGGSA-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 10.03 ALOGPS logs -8.24 ALOGPS logp 17.36 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 833.2729 ChemAxon mono_mass 832.658090548 ChemAxon smiles [H]C(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C54H88O6 ChemAxon inchi InChI=1S/C54H88O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,32-35,51H,4-6,9,12-15,18,21-24,29-31,36-50H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,34-32-,35-33- ChemAxon inchikey RRXNTJDSQHCIIT-GTEJDOGGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 264.03 ChemAxon polarizability 104.32 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::MsMs 615040 Specdb::MsMs 615041 Specdb::MsMs 615042 Specdb::MsMs 2412334 Specdb::MsMs 2412335 Specdb::MsMs 2412336 Specdb::MsMs 2480533 Specdb::MsMs 2480534 Specdb::MsMs 2480535 Specdb::MsMs 2549404 Specdb::MsMs 2549405 Specdb::MsMs 2549406 Specdb::MsMs 2570063 Specdb::MsMs 2570064 Specdb::MsMs 2570065 Specdb::MsMs 2796182 Specdb::MsMs 2796183 Specdb::MsMs 2796184 131765884