1.0 2020-03-26 00:31:17 UTC 2020-04-22 19:24:32 UTC BMDB0100615 TG(22:0/18:0/O-18:0) 1-Behenoyl-2-stearoyl-3-stearyl-glycerol 1-Docosanoyl-2-octadecanoyl-3-octadecanyl-glycerol TAG(22:0/18:0/18:0) TAG(58:0) TG(22:0/18:0/18:0) TG(58:0) Tracylglycerol(22:0/18:0/18:0) Tracylglycerol(58:0) Triacylglycerol Triglyceride TG(22:0/18:0/o-18:0) (2R)-2-(Octadecanoyloxy)-3-(octadecyloxy)propyl docosanoic acid C61H120O5 933.626 932.913576964 (2R)-2-(octadecanoyloxy)-3-(octadecyloxy)propyl docosanoate (2R)-2-(octadecanoyloxy)-3-(octadecyloxy)propyl docosanoate [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h59H,4-58H2,1-3H3/t59-/m1/s1 GNIKQFKHBFIRSO-OBEXFZABSA-N belongs to the class of organic compounds known as alkyldiacylglycerols. These are triradylglycerols that carry exactly two acyl chains attached to the glycerol moiety through an ester linkage, and one attached through an ester linkage. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Alkyldiacylglycerols Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dicarboxylic acids and derivatives Fatty acid esters Glycerol ethers Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alkyldiacylglycerol Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds logp 10.77 ALOGPS logs -7.90 ALOGPS logp 23.75 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2R)-2-(octadecanoyloxy)-3-(octadecyloxy)propyl docosanoate ChemAxon average_mass 933.626 ChemAxon mono_mass 932.913576964 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C61H120O5 ChemAxon inchi InChI=1S/C61H120O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)66-61(63)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3/h59H,4-58H2,1-3H3/t59-/m1/s1 ChemAxon inchikey GNIKQFKHBFIRSO-OBEXFZABSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 287.55 ChemAxon polarizability 130.75 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::MsMs 313819 Specdb::MsMs 313820 Specdb::MsMs 313821 Specdb::MsMs 359401 Specdb::MsMs 359402 Specdb::MsMs 359403 Specdb::MsMs 3043582 Specdb::MsMs 3043583 Specdb::MsMs 3043584 Specdb::MsMs 3099787 Specdb::MsMs 3099788 Specdb::MsMs 3099789 131757299