1.0 2020-03-06 03:51:25 UTC 2020-04-22 17:06:57 UTC BMDB0075137 BMDB75137 TG(8:0/i-15:0/i-20:0) 1-capryloyl-2-isopentadecanoyl-3-isoeicosanoyl-glycerol TG(8:0/i-15:0/i-20:0) TG(43:0) Tag(8:0/i-15:0/i-20:0) Tag(43:0) Triacylglycerol(8:0/i-15:0/i-20:0) Triacylglycerol(43:0) Triacylglycerol Triglyceride Tracylglycerol(8:0/i-15:0/i-20:0) Tracylglycerol(43:0) 1-octanoyl-2-isopentadecanoyl-3-isoeicosanoyl-glycerol C46H88O6 737.204 736.658090554 (2S)-2-[(13-methyltetradecanoyl)oxy]-3-(octanoyloxy)propyl 18-methylnonadecanoate (2S)-2-[(13-methyltetradecanoyl)oxy]-3-(octanoyloxy)propyl 18-methylnonadecanoate [H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C InChI=1S/C46H88O6/c1-6-7-8-24-31-36-44(47)50-39-43(52-46(49)38-33-28-23-19-15-17-21-26-30-35-42(4)5)40-51-45(48)37-32-27-22-18-14-12-10-9-11-13-16-20-25-29-34-41(2)3/h41-43H,6-40H2,1-5H3/t43-/m0/s1 GEUZFCDRESIUCX-QLKFWGTOSA-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 9.99 ALOGPS logs -7.79 ALOGPS logp 16.39 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(13-methyltetradecanoyl)oxy]-3-(octanoyloxy)propyl 18-methylnonadecanoate ChemAxon average_mass 737.204 ChemAxon mono_mass 736.658090554 ChemAxon smiles [H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C ChemAxon formula C46H88O6 ChemAxon inchi InChI=1S/C46H88O6/c1-6-7-8-24-31-36-44(47)50-39-43(52-46(49)38-33-28-23-19-15-17-21-26-30-35-42(4)5)40-51-45(48)37-32-27-22-18-14-12-10-9-11-13-16-20-25-29-34-41(2)3/h41-43H,6-40H2,1-5H3/t43-/m0/s1 ChemAxon inchikey GEUZFCDRESIUCX-QLKFWGTOSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 218.18 ChemAxon polarizability 97.96 ChemAxon rotatable_bond_count 43 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 225270 Specdb::MsMs 641815 Specdb::MsMs 641816 Specdb::MsMs 641817 Specdb::MsMs 2303079 Specdb::MsMs 2303080 Specdb::MsMs 2303081 Specdb::MsMs 2412211 Specdb::MsMs 2412212 Specdb::MsMs 2412213 Specdb::MsMs 2738656 Specdb::MsMs 2738657 Specdb::MsMs 2738658 Specdb::MsMs 2941235 Specdb::MsMs 2941236 Specdb::MsMs 2941237 Specdb::MsMs 2969758 Specdb::MsMs 2969759 Specdb::MsMs 2969760 FDB043764 131778565