1.0 2020-03-25 17:29:38 UTC 2020-04-22 19:06:07 UTC BMDB0097703 TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:0) 1-Myristoyl-2-eicosapentaenoyl-3-palmitoyl-glycerol 1-Tetradecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-hexadecanoyl-glycerol TAG(14:0/20:5/16:0) TAG(50:5) TG(14:0/20:5/16:0) TG(50:5) Tracylglycerol(14:0/20:5/16:0) Tracylglycerol(50:5) Triacylglycerol Triglyceride TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:0) C53H92O6 825.313 824.689390682 (2S)-1-(hexadecanoyloxy)-3-(tetradecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (2S)-1-(hexadecanoyloxy)-3-(tetradecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27,29,35,38,50H,4-6,8-9,11-15,17-18,20-23,26,28,30-34,36-37,39-49H2,1-3H3/b10-7-,19-16-,25-24-,29-27-,38-35-/t50-/m0/s1 HSIIRCWKJOGOIZ-UYYZFMNMSA-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 10.66 ALOGPS logs -8.06 ALOGPS logp 18 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(hexadecanoyloxy)-3-(tetradecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate ChemAxon average_mass 825.313 ChemAxon mono_mass 824.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C53H92O6 ChemAxon inchi InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27,29,35,38,50H,4-6,8-9,11-15,17-18,20-23,26,28,30-34,36-37,39-49H2,1-3H3/b10-7-,19-16-,25-24-,29-27-,38-35-/t50-/m0/s1 ChemAxon inchikey HSIIRCWKJOGOIZ-UYYZFMNMSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 256.08 ChemAxon polarizability 106.93 ChemAxon rotatable_bond_count 47 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 198407 Specdb::MsMs 686611 Specdb::MsMs 686612 Specdb::MsMs 686613 Specdb::MsMs 971206 Specdb::MsMs 971207 Specdb::MsMs 971208 Specdb::MsMs 2490716 Specdb::MsMs 2490717 Specdb::MsMs 2490718 Specdb::MsMs 2804895 Specdb::MsMs 2804896 Specdb::MsMs 2804897 Specdb::MsMs 2812715 Specdb::MsMs 2812716 Specdb::MsMs 2812717 Specdb::MsMs 2820840 Specdb::MsMs 2820841 Specdb::MsMs 2820842 Specdb::MsMs 2858654 Specdb::MsMs 2858655 Specdb::MsMs 2858656 131753980