1.0 2020-03-07 13:26:29 UTC 2020-04-22 18:35:18 UTC BMDB0089079 BMDB89079 TG(i-17:0/i-24:0/i-20:0) 1-isoheptadecanoyl-2-isotetracosanoyl-3-isoeicosanoyl-glycerol Tracylglycerol(i-17:0/i-24:0/i-20:0) Triacylglycerol Triglyceride TG(i-17:0/i-24:0/i-20:0) TAG(61:0) TG(61:0) TAG(i-17:0/i-24:0/i-20:0) Tracylglycerol(61:0) (2R)-1-[(15-Methylhexadecanoyl)oxy]-3-[(18-methylnonadecanoyl)oxy]propan-2-yl 22-methyltricosanoic acid C64H124O6 989.69 988.939791713 (2R)-1-[(15-methylhexadecanoyl)oxy]-3-[(18-methylnonadecanoyl)oxy]propan-2-yl 22-methyltricosanoate (2R)-1-[(15-methylhexadecanoyl)oxy]-3-[(18-methylnonadecanoyl)oxy]propan-2-yl 22-methyltricosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C64H124O6/c1-58(2)50-44-38-32-26-20-15-11-9-7-8-10-12-18-24-31-37-43-49-55-64(67)70-61(57-69-63(66)54-48-42-36-30-25-19-22-28-34-40-46-52-60(5)6)56-68-62(65)53-47-41-35-29-23-17-14-13-16-21-27-33-39-45-51-59(3)4/h58-61H,7-57H2,1-6H3/t61-/m1/s1 WFUYAGJXGQCBNG-QRXDBQBNSA-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 10.33 ALOGPS logs -7.96 ALOGPS logp 24.23 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(15-methylhexadecanoyl)oxy]-3-[(18-methylnonadecanoyl)oxy]propan-2-yl 22-methyltricosanoate ChemAxon average_mass 989.69 ChemAxon mono_mass 988.939791713 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C64H124O6 ChemAxon inchi InChI=1S/C64H124O6/c1-58(2)50-44-38-32-26-20-15-11-9-7-8-10-12-18-24-31-37-43-49-55-64(67)70-61(57-69-63(66)54-48-42-36-30-25-19-22-28-34-40-46-52-60(5)6)56-68-62(65)53-47-41-35-29-23-17-14-13-16-21-27-33-39-45-51-59(3)4/h58-61H,7-57H2,1-6H3/t61-/m1/s1 ChemAxon inchikey WFUYAGJXGQCBNG-QRXDBQBNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 300.95 ChemAxon polarizability 136.27 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 240192 Specdb::MsMs 667654 Specdb::MsMs 667655 Specdb::MsMs 667656 Specdb::MsMs 2661481 Specdb::MsMs 2661482 Specdb::MsMs 2661483 Specdb::MsMs 2761651 Specdb::MsMs 2761652 Specdb::MsMs 2761653 Specdb::MsMs 2947203 Specdb::MsMs 2947204 Specdb::MsMs 2947205 Specdb::MsMs 3021921 Specdb::MsMs 3021922 Specdb::MsMs 3021923 Specdb::MsMs 3073332 Specdb::MsMs 3073333 Specdb::MsMs 3073334 FDB079518 74871593 131815808