1.0 2020-03-04 20:32:38 UTC 2020-04-22 16:32:02 UTC BMDB0069626 BMDB69626 TG(20:0/i-24:0/i-24:0) 1-arachidoyl-2-isotetracosanoyl-3-isotetracosanoyl-glycerol TG(20:0/i-24:0/i-24:0) TG(68:0) Tag(20:0/i-24:0/i-24:0) Tag(68:0) Triacylglycerol(20:0/i-24:0/i-24:0) Triacylglycerol(68:0) Triacylglycerol Triglyceride 1-eicosanoyl-2-isotetracosanoyl-3-isotetracosanoyl-glycerol Tracylglycerol(20:0/i-24:0/i-24:0) Tracylglycerol(68:0) 1-arachidonyl-2-isotetracosanoyl-3-isotetracosanoyl-glycerol C71H138O6 1087.879 1087.049342164 (2S)-1-(icosanoyloxy)-3-[(22-methyltricosanoyl)oxy]propan-2-yl 22-methyltricosanoate (2S)-1-(icosanoyloxy)-3-[(22-methyltricosanoyl)oxy]propan-2-yl 22-methyltricosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C71H138O6/c1-6-7-8-9-10-11-12-13-14-19-26-31-36-41-46-51-56-61-69(72)75-64-68(77-71(74)63-58-53-48-43-38-33-28-23-18-16-21-25-30-35-40-45-50-55-60-67(4)5)65-76-70(73)62-57-52-47-42-37-32-27-22-17-15-20-24-29-34-39-44-49-54-59-66(2)3/h66-68H,6-65H2,1-5H3/t68-/m0/s1 LIPPVYQQNIZZBC-JCXMEWFRSA-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 10.39 ALOGPS logs -7.98 ALOGPS logp 27.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(icosanoyloxy)-3-[(22-methyltricosanoyl)oxy]propan-2-yl 22-methyltricosanoate ChemAxon average_mass 1087.879 ChemAxon mono_mass 1087.049342164 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C71H138O6 ChemAxon inchi InChI=1S/C71H138O6/c1-6-7-8-9-10-11-12-13-14-19-26-31-36-41-46-51-56-61-69(72)75-64-68(77-71(74)63-58-53-48-43-38-33-28-23-18-16-21-25-30-35-40-45-50-55-60-67(4)5)65-76-70(73)62-57-52-47-42-37-32-27-22-17-15-20-24-29-34-39-44-49-54-59-66(2)3/h66-68H,6-65H2,1-5H3/t68-/m0/s1 ChemAxon inchikey LIPPVYQQNIZZBC-JCXMEWFRSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 333.21 ChemAxon polarizability 151.6 ChemAxon rotatable_bond_count 68 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 200929 Specdb::MsMs 564697 Specdb::MsMs 564698 Specdb::MsMs 564699 Specdb::MsMs 922369 Specdb::MsMs 922370 Specdb::MsMs 922371 Specdb::MsMs 2442985 Specdb::MsMs 2442986 Specdb::MsMs 2442987 Specdb::MsMs 2790617 Specdb::MsMs 2790618 Specdb::MsMs 2790619 Specdb::MsMs 2846111 Specdb::MsMs 2846112 Specdb::MsMs 2846113 Specdb::MsMs 2870528 Specdb::MsMs 2870529 Specdb::MsMs 2870530 Specdb::MsMs 2915774 Specdb::MsMs 2915775 Specdb::MsMs 2915776 131773799 FDB038273