1.0 2020-03-07 09:59:16 UTC 2020-04-22 18:15:49 UTC BMDB0085985 BMDB85985 TG(i-16:0/i-19:0/15:0) 1-isohexadecanoyl-2-isononadecanoyl-3-pentadecanoyl-glycerol Triacylglycerol Tracylglycerol(i-16:0/i-19:0/15:0) Triglyceride TG(i-16:0/i-19:0/15:0) TG(50:0) Tracylglycerol(50:0) TAG(50:0) TAG(i-16:0/i-19:0/15:0) (2R)-1-[(14-Methylpentadecanoyl)oxy]-3-(pentadecanoyloxy)propan-2-yl 17-methyloctadecanoic acid C53H102O6 835.393 834.767641004 (2R)-1-[(14-methylpentadecanoyl)oxy]-3-(pentadecanoyloxy)propan-2-yl 17-methyloctadecanoate (2R)-1-[(14-methylpentadecanoyl)oxy]-3-(pentadecanoyloxy)propan-2-yl 17-methyloctadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C InChI=1S/C53H102O6/c1-6-7-8-9-10-11-12-17-23-28-33-38-43-51(54)57-46-50(47-58-52(55)44-39-34-29-24-20-19-22-27-32-37-42-49(4)5)59-53(56)45-40-35-30-25-18-15-13-14-16-21-26-31-36-41-48(2)3/h48-50H,6-47H2,1-5H3/t50-/m1/s1 LGPAMLOMZHABRW-VCZQVZGSSA-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 10.36 ALOGPS logs -7.89 ALOGPS logp 19.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(14-methylpentadecanoyl)oxy]-3-(pentadecanoyloxy)propan-2-yl 17-methyloctadecanoate ChemAxon average_mass 835.393 ChemAxon mono_mass 834.767641004 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C ChemAxon formula C53H102O6 ChemAxon inchi InChI=1S/C53H102O6/c1-6-7-8-9-10-11-12-17-23-28-33-38-43-51(54)57-46-50(47-58-52(55)44-39-34-29-24-20-19-22-27-32-37-42-49(4)5)59-53(56)45-40-35-30-25-18-15-13-14-16-21-26-31-36-41-48(2)3/h48-50H,6-47H2,1-5H3/t50-/m1/s1 ChemAxon inchikey LGPAMLOMZHABRW-VCZQVZGSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 250.39 ChemAxon polarizability 112.95 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::CMs 203651 Specdb::MsMs 591295 Specdb::MsMs 591296 Specdb::MsMs 591297 Specdb::MsMs 2308695 Specdb::MsMs 2308696 Specdb::MsMs 2308697 Specdb::MsMs 2337697 Specdb::MsMs 2337698 Specdb::MsMs 2337699 Specdb::MsMs 2624270 Specdb::MsMs 2624271 Specdb::MsMs 2624272 Specdb::MsMs 2952846 Specdb::MsMs 2952847 Specdb::MsMs 2952848 Specdb::MsMs 3058798 Specdb::MsMs 3058799 Specdb::MsMs 3058800 FDB076426 74868534 131812734