1.0 2020-03-26 06:52:15 UTC 2020-04-22 19:50:24 UTC BMDB0104702 TG(20:3(5Z,8Z,11Z)/14:0/20:3(5Z,8Z,11Z)) Triacylglycerol TAG(20:3/14:0/20:3) TG(20:3/14:0/20:3) TAG(54:6) Triglyceride 1-Meadoyl-2-myristoyl-3-meadoyl-glycerol TG(54:6) Tracylglycerol(54:6) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-tetradecanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol Tracylglycerol(20:3/14:0/20:3) TG(20:3(5Z,8Z,11Z)/14:0/20:3(5Z,8Z,11Z)) C57H98O6 879.3844 878.736340868 3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate 3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,30-33,37-38,40-41,54H,4-23,28-29,34-36,39,42-53H2,1-3H3/b26-24-,27-25-,32-30-,33-31-,40-37-,41-38- IOTHCLRVCXLKHX-BWMDCHBASA-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 10.74 ALOGPS logs -8.04 ALOGPS logp 19.42 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 879.3844 ChemAxon mono_mass 878.736340868 ChemAxon smiles [H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C57H98O6 ChemAxon inchi InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,30-33,37-38,40-41,54H,4-23,28-29,34-36,39,42-53H2,1-3H3/b26-24-,27-25-,32-30-,33-31-,40-37-,41-38- ChemAxon inchikey IOTHCLRVCXLKHX-BWMDCHBASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 275.6 ChemAxon polarizability 114.21 ChemAxon rotatable_bond_count 50 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 660640 Specdb::MsMs 660641 Specdb::MsMs 660642 Specdb::MsMs 2419167 Specdb::MsMs 2419168 Specdb::MsMs 2419169 Specdb::MsMs 2661814 Specdb::MsMs 2661815 Specdb::MsMs 2661816 Specdb::MsMs 2693606 Specdb::MsMs 2693607 Specdb::MsMs 2693608 Specdb::MsMs 2947974 Specdb::MsMs 2947975 Specdb::MsMs 2947976 Specdb::MsMs 3020085 Specdb::MsMs 3020086 Specdb::MsMs 3020087 131761600