1.0 2020-03-06 04:47:56 UTC 2020-04-22 17:16:39 UTC BMDB0076626 BMDB76626 TG(i-12:0/14:0/10:0) 1-Isododecanoyl-2-tetradecanoyl-3-animal fats-glycerol Triacylglycerol Tracylglycerol(36:0) Tracylglycerol(i-12:0/14:0/10:0) TAG(i-12:0/14:0/10:0) Triglyceride TG(36:0) TAG(36:0) 1-Isododecanoyl-2-myristoyl-3-decanoic acid-glycerol (2R)-1-(Decanoyloxy)-3-[(10-methylundecanoyl)oxy]propan-2-yl tetradecanoic acid TG(i-12:0/14:0/10:0) C39H74O6 639.015 638.548540103 (2R)-1-(decanoyloxy)-3-[(10-methylundecanoyl)oxy]propan-2-yl tetradecanoate (2R)-1-(decanoyloxy)-3-[(10-methylundecanoyl)oxy]propan-2-yl tetradecanoate [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC InChI=1S/C39H74O6/c1-5-7-9-11-13-14-15-16-18-24-28-32-39(42)45-36(33-43-37(40)30-26-22-17-12-10-8-6-2)34-44-38(41)31-27-23-20-19-21-25-29-35(3)4/h35-36H,5-34H2,1-4H3/t36-/m1/s1 WGIFKZYDCVVUGG-PSXMRANNSA-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 9.51 ALOGPS logs -7.71 ALOGPS logp 13.43 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(decanoyloxy)-3-[(10-methylundecanoyl)oxy]propan-2-yl tetradecanoate ChemAxon average_mass 639.015 ChemAxon mono_mass 638.548540103 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC ChemAxon formula C39H74O6 ChemAxon inchi InChI=1S/C39H74O6/c1-5-7-9-11-13-14-15-16-18-24-28-32-39(42)45-36(33-43-37(40)30-26-22-17-12-10-8-6-2)34-44-38(41)31-27-23-20-19-21-25-29-35(3)4/h35-36H,5-34H2,1-4H3/t36-/m1/s1 ChemAxon inchikey WGIFKZYDCVVUGG-PSXMRANNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 186.03 ChemAxon polarizability 83.21 ChemAxon rotatable_bond_count 37 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 246241 Specdb::MsMs 648082 Specdb::MsMs 648083 Specdb::MsMs 648084 Specdb::MsMs 2499269 Specdb::MsMs 2499270 Specdb::MsMs 2499271 Specdb::MsMs 2546967 Specdb::MsMs 2546968 Specdb::MsMs 2546969 Specdb::MsMs 2814284 Specdb::MsMs 2814285 Specdb::MsMs 2814286 Specdb::MsMs 2842170 Specdb::MsMs 2842171 Specdb::MsMs 2842172 Specdb::MsMs 2866278 Specdb::MsMs 2866279 Specdb::MsMs 2866280 74859217 131803408 FDB067018