1.0 2020-03-07 15:20:58 UTC 2020-04-22 18:46:19 UTC BMDB0090820 BMDB90820 TG(18:0/i-24:0/i-15:0) 1-octadecanoyl-2-isotetracosanoyl-3-isopentadecanoyl-glycerol TG(18:0/i-24:0/i-15:0) Triacylglycerol Triglyceride Tracylglycerol(18:0/i-24:0/i-15:0) TG(57:0) 1-stearoyl-2-isotetracosanoyl-3-isopentadecanoyl-glycerol TAG(18:0/i-24:0/i-15:0) TAG(57:0) Tracylglycerol(57:0) (2S)-1-[(13-Methyltetradecanoyl)oxy]-3-(octadecanoyloxy)propan-2-yl 22-methyltricosanoic acid C60H116O6 933.582 932.877191455 (2S)-1-[(13-methyltetradecanoyl)oxy]-3-(octadecanoyloxy)propan-2-yl 22-methyltricosanoate (2S)-1-[(13-methyltetradecanoyl)oxy]-3-(octadecanoyloxy)propan-2-yl 22-methyltricosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C60H116O6/c1-6-7-8-9-10-11-12-13-18-22-25-30-35-40-45-50-58(61)64-53-57(54-65-59(62)51-46-41-36-32-27-29-34-39-44-49-56(4)5)66-60(63)52-47-42-37-31-26-23-20-17-15-14-16-19-21-24-28-33-38-43-48-55(2)3/h55-57H,6-54H2,1-5H3/t57-/m0/s1 DYFLZSPXDCFTOR-SMWREMLRSA-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 10.48 ALOGPS logs -7.93 ALOGPS logp 22.61 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(13-methyltetradecanoyl)oxy]-3-(octadecanoyloxy)propan-2-yl 22-methyltricosanoate ChemAxon average_mass 933.582 ChemAxon mono_mass 932.877191455 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C60H116O6 ChemAxon inchi InChI=1S/C60H116O6/c1-6-7-8-9-10-11-12-13-18-22-25-30-35-40-45-50-58(61)64-53-57(54-65-59(62)51-46-41-36-32-27-29-34-39-44-49-56(4)5)66-60(63)52-47-42-37-31-26-23-20-17-15-14-16-19-21-24-28-33-38-43-48-55(2)3/h55-57H,6-54H2,1-5H3/t57-/m0/s1 ChemAxon inchikey DYFLZSPXDCFTOR-SMWREMLRSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 282.59 ChemAxon polarizability 128.17 ChemAxon rotatable_bond_count 57 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 207843 Specdb::MsMs 639862 Specdb::MsMs 639863 Specdb::MsMs 639864 Specdb::MsMs 2298879 Specdb::MsMs 2298880 Specdb::MsMs 2298881 Specdb::MsMs 2769752 Specdb::MsMs 2769753 Specdb::MsMs 2769754 Specdb::MsMs 2838615 Specdb::MsMs 2838616 Specdb::MsMs 2838617 Specdb::MsMs 2913059 Specdb::MsMs 2913060 Specdb::MsMs 2913061 Specdb::MsMs 3044452 Specdb::MsMs 3044453 Specdb::MsMs 3044454 FDB081259 74873320 131817518