1.0 2020-03-04 19:42:32 UTC 2020-04-22 16:26:01 UTC BMDB0068679 BMDB68679 TG(20:0/22:0/17:0) 1-arachidoyl-2-behenoyl-3-margaroyl-glycerol TG(59:0) Tag(20:0/22:0/17:0) Tag(59:0) Triacylglycerol(20:0/22:0/17:0) Triacylglycerol(59:0) Triacylglycerol Triglyceride TG(20:0/22:0/17:0) Triacylglycerol 1-arachidonyl-2-behenoyl-3-heptadecanoyl-glycerol TAG(20:0/22:0/17:0) Tracylglycerol(59:0) TG(59:0) Tracylglycerol(20:0/22:0/17:0) 1-eicosanoyl-2-docosanoyl-3-margaroyl-glycerol TAG(59:0) C62H120O6 961.636 960.908491584 (2R)-1-(heptadecanoyloxy)-3-(icosanoyloxy)propan-2-yl docosanoate (2R)-1-(heptadecanoyloxy)-3-(icosanoyloxy)propan-2-yl docosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C62H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3/t59-/m1/s1 ONGFRUWSYLOJGV-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 10.67 ALOGPS logs -7.92 ALOGPS logp 23.81 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(heptadecanoyloxy)-3-(icosanoyloxy)propan-2-yl docosanoate ChemAxon average_mass 961.636 ChemAxon mono_mass 960.908491584 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C62H120O6 ChemAxon inchi InChI=1S/C62H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3/t59-/m1/s1 ChemAxon inchikey ONGFRUWSYLOJGV-OBEXFZABSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.9 ChemAxon polarizability 132.88 ChemAxon rotatable_bond_count 61 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 618121 Specdb::MsMs 618122 Specdb::MsMs 618123 Specdb::MsMs 943840 Specdb::MsMs 943841 Specdb::MsMs 943842 Specdb::MsMs 2270638 Specdb::MsMs 2270639 Specdb::MsMs 2270640 Specdb::MsMs 2342982 Specdb::MsMs 2342983 Specdb::MsMs 2342984 Specdb::MsMs 2595985 Specdb::MsMs 2595986 Specdb::MsMs 2595987 Specdb::MsMs 2843594 Specdb::MsMs 2843595 Specdb::MsMs 2843596 Specdb::MsMs 3015531 Specdb::MsMs 3015532 Specdb::MsMs 3015533 131772890 FDB037329