1.0 2020-03-07 13:26:10 UTC 2020-04-22 18:35:16 UTC BMDB0089074 BMDB89074 TG(17:0/i-24:0/20:0) 1-margaroyl-2-isotetracosanoyl-3-eicosanoyl-glycerol TG(17:0/i-24:0/20:0) TAG(61:0) Triacylglycerol 1-heptadecanoyl-2-isotetracosanoyl-3-arachidonyl-glycerol Triglyceride TAG(17:0/i-24:0/20:0) TG(61:0) Tracylglycerol(61:0) Tracylglycerol(17:0/i-24:0/20:0) (2S)-1-(Heptadecanoyloxy)-3-(icosanoyloxy)propan-2-yl 22-methyltricosanoic acid C64H124O6 989.69 988.939791713 (2S)-1-(heptadecanoyloxy)-3-(icosanoyloxy)propan-2-yl 22-methyltricosanoate (2S)-1-(heptadecanoyloxy)-3-(icosanoyloxy)propan-2-yl 22-methyltricosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C64H124O6/c1-5-7-9-11-13-15-17-19-21-24-28-32-36-40-44-48-52-56-63(66)69-59-61(58-68-62(65)55-51-47-43-39-35-31-20-18-16-14-12-10-8-6-2)70-64(67)57-53-49-45-41-37-33-29-26-23-22-25-27-30-34-38-42-46-50-54-60(3)4/h60-61H,5-59H2,1-4H3/t61-/m0/s1 JIJQXPFGFFSQCV-WMNDHARXSA-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 10.56 ALOGPS logs -7.94 ALOGPS logp 24.55 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(heptadecanoyloxy)-3-(icosanoyloxy)propan-2-yl 22-methyltricosanoate ChemAxon average_mass 989.69 ChemAxon mono_mass 988.939791713 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C64H124O6 ChemAxon inchi InChI=1S/C64H124O6/c1-5-7-9-11-13-15-17-19-21-24-28-32-36-40-44-48-52-56-63(66)69-59-61(58-68-62(65)55-51-47-43-39-35-31-20-18-16-14-12-10-8-6-2)70-64(67)57-53-49-45-41-37-33-29-26-23-22-25-27-30-34-38-42-46-50-54-60(3)4/h60-61H,5-59H2,1-4H3/t61-/m0/s1 ChemAxon inchikey JIJQXPFGFFSQCV-WMNDHARXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 301.05 ChemAxon polarizability 136.8 ChemAxon rotatable_bond_count 62 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 580804 Specdb::MsMs 580805 Specdb::MsMs 580806 Specdb::MsMs 2318003 Specdb::MsMs 2318004 Specdb::MsMs 2318005 Specdb::MsMs 2525073 Specdb::MsMs 2525074 Specdb::MsMs 2525075 Specdb::MsMs 2696628 Specdb::MsMs 2696629 Specdb::MsMs 2696630 Specdb::MsMs 2845742 Specdb::MsMs 2845743 Specdb::MsMs 2845744 Specdb::MsMs 2982812 Specdb::MsMs 2982813 Specdb::MsMs 2982814 FDB079513 74871588 131815803