1.0 2020-03-04 19:24:55 UTC 2020-04-22 16:20:01 UTC BMDB0067729 BMDB67729 TG(20:0/i-18:0/a-21:0) 1-arachidoyl-2-isooctadecanoyl-3-anteisoheneicosanoyl-glycerol TG(20:0/i-18:0/a-21:0) TG(59:0) Tag(20:0/i-18:0/a-21:0) Tag(59:0) Triacylglycerol(20:0/i-18:0/a-21:0) Triacylglycerol(59:0) Triacylglycerol Triglyceride 1-eicosanoyl-2-isooctadecanoyl-3-anteisoheneicosanoyl-glycerol Tracylglycerol(20:0/i-18:0/a-21:0) 1-arachidonyl-2-isooctadecanoyl-3-anteisoheneicosanoyl-glycerol Tracylglycerol(59:0) C62H120O6 961.636 960.908491584 (2S)-3-(icosanoyloxy)-2-[(16-methylheptadecanoyl)oxy]propyl 18-methylicosanoate (2S)-3-(icosanoyloxy)-2-[(16-methylheptadecanoyl)oxy]propyl 18-methylicosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C InChI=1S/C62H120O6/c1-6-8-9-10-11-12-13-14-15-16-17-21-27-32-37-42-47-52-60(63)66-55-59(68-62(65)54-49-44-39-34-29-24-23-25-30-35-40-45-50-57(3)4)56-67-61(64)53-48-43-38-33-28-22-19-18-20-26-31-36-41-46-51-58(5)7-2/h57-59H,6-56H2,1-5H3/t58?,59-/m0/s1 FDOREHQYABMGQY-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 10.55 ALOGPS logs -7.93 ALOGPS logp 23.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(icosanoyloxy)-2-[(16-methylheptadecanoyl)oxy]propyl 18-methylicosanoate ChemAxon average_mass 961.636 ChemAxon mono_mass 960.908491584 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C ChemAxon formula C62H120O6 ChemAxon inchi InChI=1S/C62H120O6/c1-6-8-9-10-11-12-13-14-15-16-17-21-27-32-37-42-47-52-60(63)66-55-59(68-62(65)54-49-44-39-34-29-24-23-25-30-35-40-45-50-57(3)4)56-67-61(64)53-48-43-38-33-28-22-19-18-20-26-31-36-41-46-51-58(5)7-2/h57-59H,6-56H2,1-5H3/t58?,59-/m0/s1 ChemAxon inchikey FDOREHQYABMGQY-AUPLRJEGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.8 ChemAxon polarizability 132.08 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 232308 Specdb::MsMs 637909 Specdb::MsMs 637910 Specdb::MsMs 637911 Specdb::MsMs 951901 Specdb::MsMs 951902 Specdb::MsMs 951903 Specdb::MsMs 2328645 Specdb::MsMs 2328646 Specdb::MsMs 2328647 Specdb::MsMs 2604179 Specdb::MsMs 2604180 Specdb::MsMs 2604181 Specdb::MsMs 2971959 Specdb::MsMs 2971960 Specdb::MsMs 2971961 Specdb::MsMs 3052010 Specdb::MsMs 3052011 Specdb::MsMs 3052012 Specdb::MsMs 3114974 Specdb::MsMs 3114975 Specdb::MsMs 3114976 131771978 FDB036380