1.0 2020-03-05 23:07:26 UTC 2020-04-22 16:58:35 UTC BMDB0073813 BMDB73813 TG(a-25:0/19:0/15:0)[rac] 1-anteisopentacosanoyl-2-nonadecyloyl-3-pentadecanoyl-glycerol TG(a-25:0/19:0/15:0) TG(59:0) Tag(a-25:0/19:0/15:0) Tag(59:0) Triacylglycerol(a-25:0/19:0/15:0) Triacylglycerol(59:0) Triacylglycerol Triglyceride 1-anteisopentacosanoyl-2-nonadecanoyl-3-pentadecanoyl-glycerol TG(a-25:0/19:0/15:0)[rac] Tracylglycerol(a-25:0/19:0/15:0) Tracylglycerol(59:0) C62H120O6 961.636 960.908491584 (2R)-2-(nonadecanoyloxy)-3-(pentadecanoyloxy)propyl 22-methyltetracosanoate (2R)-2-(nonadecanoyloxy)-3-(pentadecanoyloxy)propyl 22-methyltetracosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC InChI=1S/C62H120O6/c1-5-8-10-12-14-16-18-20-21-27-31-35-39-43-47-51-55-62(65)68-59(56-66-60(63)53-49-45-41-37-33-19-17-15-13-11-9-6-2)57-67-61(64)54-50-46-42-38-34-30-28-25-23-22-24-26-29-32-36-40-44-48-52-58(4)7-3/h58-59H,5-57H2,1-4H3/t58?,59-/m1/s1 JMYDZGAVUSYKEO-PFUDJBDGSA-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 10.62 ALOGPS logs -7.93 ALOGPS logp 23.66 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(nonadecanoyloxy)-3-(pentadecanoyloxy)propyl 22-methyltetracosanoate ChemAxon average_mass 961.636 ChemAxon mono_mass 960.908491584 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC ChemAxon formula C62H120O6 ChemAxon inchi InChI=1S/C62H120O6/c1-5-8-10-12-14-16-18-20-21-27-31-35-39-43-47-51-55-62(65)68-59(56-66-60(63)53-49-45-41-37-33-19-17-15-13-11-9-6-2)57-67-61(64)54-50-46-42-38-34-30-28-25-23-22-24-26-29-32-36-40-44-48-52-58(4)7-3/h58-59H,5-57H2,1-4H3/t58?,59-/m1/s1 ChemAxon inchikey JMYDZGAVUSYKEO-PFUDJBDGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.85 ChemAxon polarizability 132.48 ChemAxon rotatable_bond_count 60 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 197836 Specdb::MsMs 587623 Specdb::MsMs 587624 Specdb::MsMs 587625 Specdb::MsMs 2280976 Specdb::MsMs 2280977 Specdb::MsMs 2280978 Specdb::MsMs 2383124 Specdb::MsMs 2383125 Specdb::MsMs 2383126 Specdb::MsMs 2845778 Specdb::MsMs 2845779 Specdb::MsMs 2845780 Specdb::MsMs 2863284 Specdb::MsMs 2863285 Specdb::MsMs 2863286 Specdb::MsMs 3033044 Specdb::MsMs 3033045 Specdb::MsMs 3033046 131777385 FDB042437