1.0 2020-03-25 17:13:34 UTC 2020-04-22 19:04:54 UTC BMDB0097510 TG(14:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) 1-Myristoyl-2-arachidonoyl-3-palmitoleoyl-glycerol 1-Tetradecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(9Z-hexadecenoyl)-glycerol TAG(14:0/20:4/16:1) TAG(50:5) TG(14:0/20:4/16:1) TG(50:5) Tracylglycerol(14:0/20:4/16:1) Tracylglycerol(50:5) Triacylglycerol Triglyceride TG(14:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) C53H92O6 825.313 824.689390682 (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC 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/h16,19-20,23-25,27,29,35,38,50H,4-15,17-18,21-22,26,28,30-34,36-37,39-49H2,1-3H3/b19-16-,23-20-,25-24-,29-27-,38-35-/t50-/m0/s1 FSVRDNRDSDETPI-ZHLOXPEYSA-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 10.63 ALOGPS logs -8.00 ALOGPS logp 18 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 825.313 ChemAxon mono_mass 824.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC 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/h16,19-20,23-25,27,29,35,38,50H,4-15,17-18,21-22,26,28,30-34,36-37,39-49H2,1-3H3/b19-16-,23-20-,25-24-,29-27-,38-35-/t50-/m0/s1 ChemAxon inchikey FSVRDNRDSDETPI-ZHLOXPEYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 256.08 ChemAxon polarizability 106.97 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::MsMs 642001 Specdb::MsMs 642002 Specdb::MsMs 642003 Specdb::MsMs 953638 Specdb::MsMs 953639 Specdb::MsMs 953640 Specdb::MsMs 2558346 Specdb::MsMs 2558347 Specdb::MsMs 2558348 Specdb::MsMs 2711393 Specdb::MsMs 2711394 Specdb::MsMs 2711395 Specdb::MsMs 2772590 Specdb::MsMs 2772591 Specdb::MsMs 2772592 Specdb::MsMs 2925535 Specdb::MsMs 2925536 Specdb::MsMs 2925537 Specdb::MsMs 2997752 Specdb::MsMs 2997753 Specdb::MsMs 2997754 131753776