1.0 2020-03-25 16:48:44 UTC 2020-04-22 19:03:03 UTC BMDB0097215 TG(14:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 1-Myristoyl-2-myristoleoyl-3-adrenoyl-glycerol 1-Tetradecanoyl-2-(9Z-tetradecenoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol TAG(14:0/14:1/22:4) TAG(50:5) TG(14:0/14:1/22:4) TG(50:5) Tracylglycerol(14:0/14:1/22:4) Tracylglycerol(50:5) Triacylglycerol Triglyceride TG(14:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C53H92O6 825.313 824.689390682 (2S)-2-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2S)-2-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h15-16,18-19,23-24,26-27,29,32,50H,4-14,17,20-22,25,28,30-31,33-49H2,1-3H3/b18-15-,19-16-,24-23-,27-26-,32-29-/t50-/m0/s1 QRYWSPKPEOVSTE-XCLIVZJGSA-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 10.59 ALOGPS logs -7.98 ALOGPS logp 18 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 825.313 ChemAxon mono_mass 824.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C53H92O6 ChemAxon inchi InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h15-16,18-19,23-24,26-27,29,32,50H,4-14,17,20-22,25,28,30-31,33-49H2,1-3H3/b18-15-,19-16-,24-23-,27-26-,32-29-/t50-/m0/s1 ChemAxon inchikey QRYWSPKPEOVSTE-XCLIVZJGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 256.08 ChemAxon polarizability 107.34 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 589855 Specdb::MsMs 589856 Specdb::MsMs 589857 Specdb::MsMs 2300724 Specdb::MsMs 2300725 Specdb::MsMs 2300726 Specdb::MsMs 2749795 Specdb::MsMs 2749796 Specdb::MsMs 2749797 Specdb::MsMs 3037268 Specdb::MsMs 3037269 Specdb::MsMs 3037270 Specdb::MsMs 3052568 Specdb::MsMs 3052569 Specdb::MsMs 3052570 Specdb::MsMs 3106670 Specdb::MsMs 3106671 Specdb::MsMs 3106672 131753434