1.0 2020-03-04 22:03:38 UTC 2020-04-22 16:41:11 UTC BMDB0071070 BMDB71070 TG(i-22:0/21:0/14:0) 1-isodocosanoyl-2-heneicosyloyl-3-myristoyl-glycerol TG(i-22:0/21:0/14:0) TG(57:0) Tag(i-22:0/21:0/14:0) Tag(57:0) Triacylglycerol(i-22:0/21:0/14:0) Triacylglycerol(57:0) Triacylglycerol Triglyceride 1-isodocosanoyl-2-heneicosyloyl-3-tetradecanoyl-glycerol Tracylglycerol(57:0) Tracylglycerol(i-22:0/21:0/14:0) C60H116O6 933.582 932.877191455 (2R)-2-(henicosanoyloxy)-3-(tetradecanoyloxy)propyl 20-methylhenicosanoate (2R)-2-(henicosanoyloxy)-3-(tetradecanoyloxy)propyl 20-methylhenicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC InChI=1S/C60H116O6/c1-5-7-9-11-13-15-17-18-19-20-21-26-29-33-37-41-45-49-53-60(63)66-57(54-64-58(61)51-47-43-39-35-30-16-14-12-10-8-6-2)55-65-59(62)52-48-44-40-36-32-28-25-23-22-24-27-31-34-38-42-46-50-56(3)4/h56-57H,5-55H2,1-4H3/t57-/m1/s1 SKSZPYOCKLYRPX-ODEQYEIHSA-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 10.59 ALOGPS logs -7.92 ALOGPS logp 22.77 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(henicosanoyloxy)-3-(tetradecanoyloxy)propyl 20-methylhenicosanoate ChemAxon average_mass 933.582 ChemAxon mono_mass 932.877191455 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC ChemAxon formula C60H116O6 ChemAxon inchi InChI=1S/C60H116O6/c1-5-7-9-11-13-15-17-18-19-20-21-26-29-33-37-41-45-49-53-60(63)66-57(54-64-58(61)51-47-43-39-35-30-16-14-12-10-8-6-2)55-65-59(62)52-48-44-40-36-32-28-25-23-22-24-27-31-34-38-42-46-50-56(3)4/h56-57H,5-55H2,1-4H3/t57-/m1/s1 ChemAxon inchikey SKSZPYOCKLYRPX-ODEQYEIHSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 282.65 ChemAxon polarizability 128.38 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::MsMs 625072 Specdb::MsMs 625073 Specdb::MsMs 625074 Specdb::MsMs 946660 Specdb::MsMs 946661 Specdb::MsMs 946662 Specdb::MsMs 2262907 Specdb::MsMs 2262908 Specdb::MsMs 2262909 Specdb::MsMs 2320385 Specdb::MsMs 2320386 Specdb::MsMs 2320387 Specdb::MsMs 2833752 Specdb::MsMs 2833753 Specdb::MsMs 2833754 Specdb::MsMs 2956812 Specdb::MsMs 2956813 Specdb::MsMs 2956814 Specdb::MsMs 3078699 Specdb::MsMs 3078700 Specdb::MsMs 3078701 FDB039706 131775131