1.0 2020-03-26 05:42:12 UTC 2020-04-22 19:45:05 UTC BMDB0103863 TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z)) Tracylglycerol(18:1/20:3/18:1) 1-Oleoyl-2-meadoyl-3-oleoyl-glycerol TG(18:1/20:3/18:1) TG(56:5) Triglyceride Tracylglycerol(56:5) TAG(56:5) TAG(18:1/20:3/18:1) 1-(9Z-Octadecenoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(9Z-octadecenoyl)-glycerol Triacylglycerol TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z)) C59H104O6 909.4535 908.78329106 1,3-bis[(9Z)-octadec-9-enoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate 1,3-bis[(9Z)-octadec-9-enoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H]C(COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25-28,30-32,35,41,44,56H,4-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b28-25-,30-26-,31-27-,35-32-,44-41- UTUVQPOHCHWCPM-QBNMLMNFSA-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 10.85 ALOGPS logs -8.18 ALOGPS logp 20.67 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis[(9Z)-octadec-9-enoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 909.4535 ChemAxon mono_mass 908.78329106 ChemAxon smiles [H]C(COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C59H104O6 ChemAxon inchi InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25-28,30-32,35,41,44,56H,4-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b28-25-,30-26-,31-27-,35-32-,44-41- ChemAxon inchikey UTUVQPOHCHWCPM-QBNMLMNFSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 283.68 ChemAxon polarizability 120.1 ChemAxon rotatable_bond_count 53 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 599629 Specdb::MsMs 599630 Specdb::MsMs 599631 Specdb::MsMs 2418984 Specdb::MsMs 2418985 Specdb::MsMs 2418986 Specdb::MsMs 2440768 Specdb::MsMs 2440769 Specdb::MsMs 2440770 Specdb::MsMs 2525805 Specdb::MsMs 2525806 Specdb::MsMs 2525807 Specdb::MsMs 2948952 Specdb::MsMs 2948953 Specdb::MsMs 2948954 Specdb::MsMs 2976971 Specdb::MsMs 2976972 Specdb::MsMs 2976973 131760703