1.0 2020-03-07 09:14:41 UTC 2020-04-22 18:11:34 UTC BMDB0085312 BMDB85312 TG(i-16:0/i-14:0/a-15:0)[rac] 1-isohexadecanoyl-2-isotetradecanoyl-3-anteisopentadecanoyl-glycerol TAG(i-16:0/i-14:0/a-15:0) Tracylglycerol(45:0) TG(45:0) Triacylglycerol TG(i-16:0/i-14:0/a-15:0) TAG(45:0) Triglyceride Tracylglycerol(i-16:0/i-14:0/a-15:0) TG(i-16:0/i-14:0/a-15:0)[rac] (2S)-3-[(12-Methyltetradecanoyl)oxy]-2-[(12-methyltridecanoyl)oxy]propyl 14-methylpentadecanoic acid C48H92O6 765.258 764.689390682 (2S)-3-[(12-methyltetradecanoyl)oxy]-2-[(12-methyltridecanoyl)oxy]propyl 14-methylpentadecanoate (2S)-3-[(12-methyltetradecanoyl)oxy]-2-[(12-methyltridecanoyl)oxy]propyl 14-methylpentadecanoate [H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C InChI=1S/C48H92O6/c1-7-44(6)36-30-24-18-13-15-20-26-32-38-47(50)53-41-45(54-48(51)39-33-27-21-14-12-17-23-29-35-43(4)5)40-52-46(49)37-31-25-19-11-9-8-10-16-22-28-34-42(2)3/h42-45H,7-41H2,1-6H3/t44?,45-/m0/s1 DJWNEEZMOXDONY-AXFIPLKASA-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 10.01 ALOGPS logs -7.86 ALOGPS logp 17.12 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(12-methyltetradecanoyl)oxy]-2-[(12-methyltridecanoyl)oxy]propyl 14-methylpentadecanoate ChemAxon average_mass 765.258 ChemAxon mono_mass 764.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C ChemAxon formula C48H92O6 ChemAxon inchi InChI=1S/C48H92O6/c1-7-44(6)36-30-24-18-13-15-20-26-32-38-47(50)53-41-45(54-48(51)39-33-27-21-14-12-17-23-29-35-43(4)5)40-52-46(49)37-31-25-19-11-9-8-10-16-22-28-34-42(2)3/h42-45H,7-41H2,1-6H3/t44?,45-/m0/s1 ChemAxon inchikey DJWNEEZMOXDONY-AXFIPLKASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 227.33 ChemAxon polarizability 101.79 ChemAxon rotatable_bond_count 44 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 238060 Specdb::MsMs 596245 Specdb::MsMs 596246 Specdb::MsMs 596247 Specdb::MsMs 2273361 Specdb::MsMs 2273362 Specdb::MsMs 2273363 Specdb::MsMs 2370755 Specdb::MsMs 2370756 Specdb::MsMs 2370757 Specdb::MsMs 2430739 Specdb::MsMs 2430740 Specdb::MsMs 2430741 Specdb::MsMs 2568391 Specdb::MsMs 2568392 Specdb::MsMs 2568393 Specdb::MsMs 2860183 Specdb::MsMs 2860184 Specdb::MsMs 2860185 FDB075754 74867864 131812069