1.0 2020-03-07 10:03:52 UTC 2020-04-22 18:16:15 UTC BMDB0086054 BMDB86054 TG(i-16:0/i-19:0/i-24:0) 1-isohexadecanoyl-2-isononadecanoyl-3-isotetracosanoyl-glycerol TAG(59:0) TAG(i-16:0/i-19:0/i-24:0) Triacylglycerol Tracylglycerol(i-16:0/i-19:0/i-24:0) Triglyceride Tracylglycerol(59:0) TG(59:0) TG(i-16:0/i-19:0/i-24:0) (2R)-2-[(17-Methyloctadecanoyl)oxy]-3-[(14-methylpentadecanoyl)oxy]propyl 22-methyltricosanoic acid C62H120O6 961.636 960.908491584 (2R)-2-[(17-methyloctadecanoyl)oxy]-3-[(14-methylpentadecanoyl)oxy]propyl 22-methyltricosanoate (2R)-2-[(17-methyloctadecanoyl)oxy]-3-[(14-methylpentadecanoyl)oxy]propyl 22-methyltricosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C InChI=1S/C62H120O6/c1-56(2)48-42-36-30-24-18-14-11-9-7-8-10-12-16-20-27-33-39-45-51-60(63)66-54-59(55-67-61(64)52-46-40-34-28-23-22-26-32-38-44-50-58(5)6)68-62(65)53-47-41-35-29-21-17-13-15-19-25-31-37-43-49-57(3)4/h56-59H,7-55H2,1-6H3/t59-/m1/s1 FCSCETFUIHQDBU-OBEXFZABSA-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 10.35 ALOGPS logs -7.96 ALOGPS logp 23.34 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(17-methyloctadecanoyl)oxy]-3-[(14-methylpentadecanoyl)oxy]propyl 22-methyltricosanoate ChemAxon average_mass 961.636 ChemAxon mono_mass 960.908491584 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C ChemAxon formula C62H120O6 ChemAxon inchi InChI=1S/C62H120O6/c1-56(2)48-42-36-30-24-18-14-11-9-7-8-10-12-16-20-27-33-39-45-51-60(63)66-54-59(55-67-61(64)52-46-40-34-28-23-22-26-32-38-44-50-58(5)6)68-62(65)53-47-41-35-29-21-17-13-15-19-25-31-37-43-49-57(3)4/h56-59H,7-55H2,1-6H3/t59-/m1/s1 ChemAxon inchikey FCSCETFUIHQDBU-OBEXFZABSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.74 ChemAxon polarizability 132.03 ChemAxon rotatable_bond_count 58 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 239121 Specdb::MsMs 654601 Specdb::MsMs 654602 Specdb::MsMs 654603 Specdb::MsMs 2453035 Specdb::MsMs 2453036 Specdb::MsMs 2453037 Specdb::MsMs 2482750 Specdb::MsMs 2482751 Specdb::MsMs 2482752 Specdb::MsMs 2498549 Specdb::MsMs 2498550 Specdb::MsMs 2498551 Specdb::MsMs 2818572 Specdb::MsMs 2818573 Specdb::MsMs 2818574 Specdb::MsMs 2890099 Specdb::MsMs 2890100 Specdb::MsMs 2890101 FDB076495 74868599 131812803