1.0 2020-03-06 04:23:53 UTC 2020-04-22 17:14:18 UTC BMDB0076258 BMDB76258 TG(12:0/8:0/20:0) 1-Dodecanoyl-2-capryloyl-3-eicosanoyl-glycerol 1-Dodecanoyl-2-octanoyl-3-arachidonyl-glycerol Triacylglycerol Tracylglycerol(12:0/8:0/20:0) Triglyceride TAG(12:0/8:0/20:0) TG(40:0) TAG(40:0) Tracylglycerol(40:0) (2S)-3-(Dodecanoyloxy)-2-(octanoyloxy)propyl icosanoic acid TG(12:0/8:0/20:0) C43H82O6 695.123 694.61114036 (2S)-3-(dodecanoyloxy)-2-(octanoyloxy)propyl icosanoate (2S)-3-(dodecanoyloxy)-2-(octanoyloxy)propyl icosanoate [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC InChI=1S/C43H82O6/c1-4-7-10-13-15-17-18-19-20-21-22-23-24-26-28-31-33-36-42(45)48-39-40(49-43(46)37-34-29-12-9-6-3)38-47-41(44)35-32-30-27-25-16-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m0/s1 PHBPZCOQZPRZAO-FAIXQHPJSA-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 10.23 ALOGPS logs -7.73 ALOGPS logp 15.37 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(dodecanoyloxy)-2-(octanoyloxy)propyl icosanoate ChemAxon average_mass 695.123 ChemAxon mono_mass 694.61114036 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC ChemAxon formula C43H82O6 ChemAxon inchi InChI=1S/C43H82O6/c1-4-7-10-13-15-17-18-19-20-21-22-23-24-26-28-31-33-36-42(45)48-39-40(49-43(46)37-34-29-12-9-6-3)38-47-41(44)35-32-30-27-25-16-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m0/s1 ChemAxon inchikey PHBPZCOQZPRZAO-FAIXQHPJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 204.48 ChemAxon polarizability 92.42 ChemAxon rotatable_bond_count 42 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 245947 Specdb::MsMs 572863 Specdb::MsMs 572864 Specdb::MsMs 572865 Specdb::MsMs 2561592 Specdb::MsMs 2561593 Specdb::MsMs 2561594 Specdb::MsMs 2769791 Specdb::MsMs 2769792 Specdb::MsMs 2769793 Specdb::MsMs 2822474 Specdb::MsMs 2822475 Specdb::MsMs 2822476 Specdb::MsMs 2860114 Specdb::MsMs 2860115 Specdb::MsMs 2860116 Specdb::MsMs 3118399 Specdb::MsMs 3118400 Specdb::MsMs 3118401 74858849 131803042 FDB066649