1.0 2020-03-06 04:17:53 UTC 2020-04-22 17:13:39 UTC BMDB0076154 BMDB76154 TG(10:0/a-25:0/a-13:0)[rac] 1-decanoyl-2-anteisopentacosanoyl-3-anteisotridecanoyl-glycerol TG(10:0/a-25:0/a-13:0) TG(48:0) Tag(10:0/a-25:0/a-13:0) Tag(48:0) Triacylglycerol(10:0/a-25:0/a-13:0) Triacylglycerol(48:0) Triacylglycerol Triglyceride 1-animal fats-2-anteisopentacosanoyl-3-anteisotridecanoyl-glycerol Tracylglycerol(10:0/a-25:0/a-13:0) 1-decanoic acid-2-anteisopentacosanoyl-3-anteisotridecanoyl-glycerol Tracylglycerol(48:0) TG(10:0/a-25:0/a-13:0)[rac] C51H98O6 807.339 806.736340876 (2S)-1-(decanoyloxy)-3-[(10-methyldodecanoyl)oxy]propan-2-yl 22-methyltetracosanoate (2S)-1-(decanoyloxy)-3-[(10-methyldodecanoyl)oxy]propan-2-yl 22-methyltetracosanoate [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC InChI=1S/C51H98O6/c1-6-9-10-11-24-31-36-41-49(52)55-44-48(45-56-50(53)42-37-32-28-27-30-35-40-47(5)8-3)57-51(54)43-38-33-26-23-21-19-17-15-13-12-14-16-18-20-22-25-29-34-39-46(4)7-2/h46-48H,6-45H2,1-5H3/t46?,47?,48-/m0/s1 MQJIGIPOAFMEGO-ARIPYHFASA-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 10.50 ALOGPS logs -7.89 ALOGPS logp 18.61 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(decanoyloxy)-3-[(10-methyldodecanoyl)oxy]propan-2-yl 22-methyltetracosanoate ChemAxon average_mass 807.339 ChemAxon mono_mass 806.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC ChemAxon formula C51H98O6 ChemAxon inchi InChI=1S/C51H98O6/c1-6-9-10-11-24-31-36-41-49(52)55-44-48(45-56-50(53)42-37-32-28-27-30-35-40-47(5)8-3)57-51(54)43-38-33-26-23-21-19-17-15-13-12-14-16-18-20-22-25-29-34-39-46(4)7-2/h46-48H,6-45H2,1-5H3/t46?,47?,48-/m0/s1 ChemAxon inchikey MQJIGIPOAFMEGO-ARIPYHFASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 241.19 ChemAxon polarizability 108.5 ChemAxon rotatable_bond_count 48 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 662329 Specdb::MsMs 662330 Specdb::MsMs 662331 Specdb::MsMs 2385818 Specdb::MsMs 2385819 Specdb::MsMs 2385820 Specdb::MsMs 2433706 Specdb::MsMs 2433707 Specdb::MsMs 2433708 Specdb::MsMs 2504903 Specdb::MsMs 2504904 Specdb::MsMs 2504905 Specdb::MsMs 2910929 Specdb::MsMs 2910930 Specdb::MsMs 2910931 Specdb::MsMs 2914286 Specdb::MsMs 2914287 Specdb::MsMs 2914288 131779578 FDB044785