1.0 2020-03-25 18:14:49 UTC 2020-04-22 19:09:38 UTC BMDB0098257 TG(15:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z)) 1-Pentadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(15Z-tetracosanoyl)-glycerol 1-Pentadecanoyl-2-arachidonoyl-3-nervonoyl-glycerol TAG(15:0/20:4/24:1) TAG(59:5) TG(15:0/20:4/24:1) TG(59:5) Tracylglycerol(15:0/20:4/24:1) Tracylglycerol(59:5) Triacylglycerol Triglyceride TG(15:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z)) C62H110O6 951.556 950.830241262 (2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate (2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,36,38,44,47,59H,4-16,18-19,21-24,29-35,37,39-43,45-46,48-58H2,1-3H3/b20-17-,27-25-,28-26-,38-36-,47-44-/t59-/m0/s1 CPXQGPVBVOURNE-FCUHVOOGSA-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 10.91 ALOGPS logs -8.21 ALOGPS logp 22 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 951.556 ChemAxon mono_mass 950.830241262 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C62H110O6 ChemAxon inchi InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,36,38,44,47,59H,4-16,18-19,21-24,29-35,37,39-43,45-46,48-58H2,1-3H3/b20-17-,27-25-,28-26-,38-36-,47-44-/t59-/m0/s1 ChemAxon inchikey CPXQGPVBVOURNE-FCUHVOOGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 297.48 ChemAxon polarizability 126.15 ChemAxon rotatable_bond_count 56 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 232050 Specdb::MsMs 603388 Specdb::MsMs 603389 Specdb::MsMs 603390 Specdb::MsMs 937807 Specdb::MsMs 937808 Specdb::MsMs 937809 Specdb::MsMs 2332637 Specdb::MsMs 2332638 Specdb::MsMs 2332639 Specdb::MsMs 2342769 Specdb::MsMs 2342770 Specdb::MsMs 2342771 Specdb::MsMs 2596129 Specdb::MsMs 2596130 Specdb::MsMs 2596131 Specdb::MsMs 2611103 Specdb::MsMs 2611104 Specdb::MsMs 2611105 Specdb::MsMs 2970465 Specdb::MsMs 2970466 Specdb::MsMs 2970467 131754644