1.0 2020-03-05 04:33:46 UTC 2020-04-22 16:57:30 UTC BMDB0073643 BMDB73643 TG(a-25:0/16:0/a-15:0)[rac] 1-anteisopentacosanoyl-2-palmitoyl-3-anteisopentadecanoyl-glycerol TG(a-25:0/16:0/a-15:0) TG(56:0) Tag(a-25:0/16:0/a-15:0) Tag(56:0) Triacylglycerol(a-25:0/16:0/a-15:0) Triacylglycerol(56:0) Triacylglycerol Triglyceride 1-anteisopentacosanoyl-2-hexadecanoyl-3-anteisopentadecanoyl-glycerol Tracylglycerol(56:0) TG(a-25:0/16:0/a-15:0)[rac] Tracylglycerol(a-25:0/16:0/a-15:0) C59H114O6 919.555 918.861541391 (2S)-2-(hexadecanoyloxy)-3-[(12-methyltetradecanoyl)oxy]propyl 22-methyltetracosanoate (2S)-2-(hexadecanoyloxy)-3-[(12-methyltetradecanoyl)oxy]propyl 22-methyltetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C59H114O6/c1-6-9-10-11-12-13-14-21-26-29-36-41-46-51-59(62)65-56(53-64-58(61)50-45-40-35-31-30-33-38-43-48-55(5)8-3)52-63-57(60)49-44-39-34-28-25-23-20-18-16-15-17-19-22-24-27-32-37-42-47-54(4)7-2/h54-56H,6-53H2,1-5H3/t54?,55?,56-/m0/s1 XSVVINUAAAYUHY-GOUNWNKQSA-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 10.61 ALOGPS logs -7.93 ALOGPS logp 22.17 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(hexadecanoyloxy)-3-[(12-methyltetradecanoyl)oxy]propyl 22-methyltetracosanoate ChemAxon average_mass 919.555 ChemAxon mono_mass 918.861541391 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C59H114O6 ChemAxon inchi InChI=1S/C59H114O6/c1-6-9-10-11-12-13-14-21-26-29-36-41-46-51-59(62)65-56(53-64-58(61)50-45-40-35-31-30-33-38-43-48-55(5)8-3)52-63-57(60)49-44-39-34-28-25-23-20-18-16-15-17-19-22-24-27-32-37-42-47-54(4)7-2/h54-56H,6-53H2,1-5H3/t54?,55?,56-/m0/s1 ChemAxon inchikey XSVVINUAAAYUHY-GOUNWNKQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 277.99 ChemAxon polarizability 125.51 ChemAxon rotatable_bond_count 56 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 235630 Specdb::MsMs 662767 Specdb::MsMs 662768 Specdb::MsMs 662769 Specdb::MsMs 2440225 Specdb::MsMs 2440226 Specdb::MsMs 2440227 Specdb::MsMs 2745812 Specdb::MsMs 2745813 Specdb::MsMs 2745814 Specdb::MsMs 2863311 Specdb::MsMs 2863312 Specdb::MsMs 2863313 Specdb::MsMs 2936500 Specdb::MsMs 2936501 Specdb::MsMs 2936502 Specdb::MsMs 2987145 Specdb::MsMs 2987146 Specdb::MsMs 2987147 FDB042267 131777256