1.0 2020-03-04 23:48:36 UTC 2020-04-22 16:50:59 UTC BMDB0072613 BMDB72613 TG(i-22:0/22:0/a-15:0)[rac] 1-isodocosanoyl-2-behenoyl-3-anteisopentadecanoyl-glycerol TG(i-22:0/22:0/a-15:0) TG(59:0) Tag(i-22:0/22:0/a-15:0) Tag(59:0) Triacylglycerol(i-22:0/22:0/a-15:0) Triacylglycerol(59:0) Triacylglycerol Triglyceride 1-isodocosanoyl-2-docosanoyl-3-anteisopentadecanoyl-glycerol Tracylglycerol(i-22:0/22:0/a-15:0) TG(i-22:0/22:0/a-15:0)[rac] Tracylglycerol(59:0) C62H120O6 961.636 960.908491584 (2S)-1-[(20-methylhenicosanoyl)oxy]-3-[(12-methyltetradecanoyl)oxy]propan-2-yl docosanoate (2S)-1-[(20-methylhenicosanoyl)oxy]-3-[(12-methyltetradecanoyl)oxy]propan-2-yl docosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C62H120O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-39-44-49-54-62(65)68-59(56-67-61(64)53-48-43-38-34-33-36-41-46-51-58(5)7-2)55-66-60(63)52-47-42-37-31-28-25-22-20-19-21-24-27-30-35-40-45-50-57(3)4/h57-59H,6-56H2,1-5H3/t58?,59-/m0/s1 MVKJNYUXDLKFML-AUPLRJEGSA-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 10.57 ALOGPS logs -7.93 ALOGPS logp 23.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(20-methylhenicosanoyl)oxy]-3-[(12-methyltetradecanoyl)oxy]propan-2-yl docosanoate ChemAxon average_mass 961.636 ChemAxon mono_mass 960.908491584 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C62H120O6 ChemAxon inchi InChI=1S/C62H120O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-39-44-49-54-62(65)68-59(56-67-61(64)53-48-43-38-34-33-36-41-46-51-58(5)7-2)55-66-60(63)52-47-42-37-31-28-25-22-20-19-21-24-27-30-35-40-45-50-57(3)4/h57-59H,6-56H2,1-5H3/t58?,59-/m0/s1 ChemAxon inchikey MVKJNYUXDLKFML-AUPLRJEGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.8 ChemAxon polarizability 132.22 ChemAxon rotatable_bond_count 59 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 205409 Specdb::MsMs 574930 Specdb::MsMs 574931 Specdb::MsMs 574932 Specdb::MsMs 2267331 Specdb::MsMs 2267332 Specdb::MsMs 2267333 Specdb::MsMs 2641444 Specdb::MsMs 2641445 Specdb::MsMs 2641446 Specdb::MsMs 2733588 Specdb::MsMs 2733589 Specdb::MsMs 2733590 Specdb::MsMs 2971485 Specdb::MsMs 2971486 Specdb::MsMs 2971487 Specdb::MsMs 3094420 Specdb::MsMs 3094421 Specdb::MsMs 3094422 FDB041239 131776421