1.0 2020-03-25 17:42:21 UTC 2020-04-22 19:07:07 UTC BMDB0097859 TG(15:0/15:0/20:4(8Z,11Z,14Z,17Z)) 1-Pentadecanoyl-2-pentadecanoyl-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-Pentadecanoyl-2-pentadecanoyl-3-eicsoatetraenoyl-glycerol TAG(15:0/15:0/20:4) TAG(50:4) TG(15:0/15:0/20:4) TG(50:4) Tracylglycerol(15:0/15:0/20:4) Tracylglycerol(50:4) Triacylglycerol Triglyceride TG(15:0/15:0/20:4(8Z,11Z,14Z,17Z)) C53H94O6 827.329 826.705040747 (2S)-2,3-bis(pentadecanoyloxy)propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (2S)-2,3-bis(pentadecanoyloxy)propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,50H,4-6,8-9,11-15,17-18,20-24,27,30-49H2,1-3H3/b10-7-,19-16-,26-25-,29-28-/t50-/m0/s1 XTTFJEQQCHMLOZ-VXYDLJQLSA-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 10.72 ALOGPS logs -8.08 ALOGPS logp 18.37 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis(pentadecanoyloxy)propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate ChemAxon average_mass 827.329 ChemAxon mono_mass 826.705040747 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C53H94O6 ChemAxon inchi InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,50H,4-6,8-9,11-15,17-18,20-24,27,30-49H2,1-3H3/b10-7-,19-16-,26-25-,29-28-/t50-/m0/s1 ChemAxon inchikey XTTFJEQQCHMLOZ-VXYDLJQLSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 254.96 ChemAxon polarizability 107.75 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::MsMs 656143 Specdb::MsMs 656144 Specdb::MsMs 656145 Specdb::MsMs 959023 Specdb::MsMs 959024 Specdb::MsMs 959025 Specdb::MsMs 2464707 Specdb::MsMs 2464708 Specdb::MsMs 2464709 Specdb::MsMs 2466602 Specdb::MsMs 2466603 Specdb::MsMs 2466604 Specdb::MsMs 2892410 Specdb::MsMs 2892411 Specdb::MsMs 2892412 Specdb::MsMs 3052946 Specdb::MsMs 3052947 Specdb::MsMs 3052948 Specdb::MsMs 3114077 Specdb::MsMs 3114078 Specdb::MsMs 3114079 131754147